##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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#                                                                            #
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data_global
_audit_creation_method     'from SHELXL97 CIF and IUCr SHELXL97-template'
_journal_date_recd_electronic     2006-10-06
_journal_date_accepted     2006-11-08
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2007
_journal_volume     63
_journal_issue      1
_journal_page_first     m4
_journal_page_last     m6
_journal_paper_category     FM
_journal_coeditor_code     SF3022
_publ_contact_author_name     'Prof. Wen-Jie Lu'
_publ_contact_author_address
;
Department of Chemical and Environmental Engineering
Wuyi University
Jiangmen, Guangdong Province
People's Republic of China
;
_publ_contact_author_email     wjlu_56@yahoo.com.cn
_publ_contact_author_fax     '+86-750-3354323'
_publ_contact_author_phone     '+86-750-3296258'
_publ_section_title
;
Poly[diaqua(μ-4,4'-bipyridine)tetrakis(μ-ferrocenecarboxylato)bis(μ-
ferrocenecarboxylato)trimanganese(II)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Wen-Jie Lu'
;
Department of Chemical and Environmental Engineering
Wuyi University, Jiangmen
Guangdong Province
People's Republic of China
;
    'Yi-Min Zhu'
;
Department of Chemical and Environmental Engineering
Wuyi University, Jiangmen
Guangdong Province
People's Republic of China
;
    'Kai-Long Zhong'
;
Department of Chemical and Environmental Engineering
Wuyi University, Jiangmen
Guangdong Province
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Poly[diaqua(μ-4,4'-bipyridine)tetrakis(μ-ferrocenecarboxylato)bis(μ-
ferrocenecarboxylato)trimanganese(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C76 H66 Fe6 Mn3 N2 O14'
_chemical_formula_sum     'C76 H66 Fe6 Mn3 N2 O14'
_chemical_formula_iupac     '[Mn3 Fe6 (C5 H5)6 (C6 H4 O2)6 (C10 H8 N2) (H2 O)2]'
_chemical_formula_weight     1731.23
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     P-1
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     10.9891(11)
_cell_length_b     11.4986(11)
_cell_length_c     14.8928(15)
_cell_angle_alpha     82.308(2)
_cell_angle_beta     83.418(2)
_cell_angle_gamma     66.000(2)
_cell_volume     1699.9(3)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     2728
_cell_measurement_theta_min     2.72
_cell_measurement_theta_max     28.2
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.40
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.21
_exptl_crystal_density_diffrn     1.691
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     879
_exptl_absorpt_coefficient_mu     1.848
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.5252
_exptl_absorpt_correction_T_max     0.6976
_exptl_special_details
;
FT--IR
data (KBr, cm⁻¹) 3446(m, b), 3100(w), 1577(m), 1532(s),
1473(s), 1392(s), 1357(s), 1190(w), 1105(w), 1026(w),
1002(w), 848(m), 584(s), 508(w), 485(m).
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD 1K area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9365
_diffrn_reflns_av_R_equivalents     0.0271
_diffrn_reflns_av_sigmaI/netI     0.0546
_diffrn_reflns_theta_min     1.38
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     5972
_reflns_number_gt     4258
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0666
_refine_ls_R_factor_gt     0.0399
_refine_ls_wR_factor_gt     0.0867
_refine_ls_wR_factor_ref     0.1023
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_restrained_S_all     1.026
_refine_ls_number_reflns     5972
_refine_ls_number_parameters     465
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0427P)²+0.8034P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.706
_refine_diff_density_min     -0.438
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mn' 'Mn' 0.3368 0.7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1998)'
_computing_cell_refinement     'SAINT (Bruker, 1998)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 1998)'
_computing_publication_material     'SHELXTL'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Mn Mn1 1.0000 0.5000 1.0000 0.0282(2) Uani d S 1 . .
    Mn Mn2 0.53658(6) 0.59642(6) 0.89577(4) 0.03230(16) Uani d . 1 . .
    O O5 0.7154(3) 0.6198(3) 0.88344(18) 0.0409(7) Uani d . 1 . .
    O O6 0.9328(3) 0.5692(3) 0.86428(18) 0.0397(7) Uani d . 1 . .
    Fe Fe3 0.79051(6) 0.58642(6) 0.63538(4) 0.03417(16) Uani d . 1 . .
    C C23 0.8042(4) 0.6750(4) 0.7411(3) 0.0315(9) Uani d . 1 . .
    C C24 0.9105(4) 0.6643(4) 0.6726(3) 0.0398(10) Uani d . 1 . .
    H H24 1.0063 0.6199 0.6811 0.048 Uiso calc R 1 . .
    C C25 0.8517(5) 0.7315(4) 0.5908(3) 0.0461(11) Uani d . 1 . .
    H H25 0.9004 0.7395 0.5325 0.055 Uiso calc R 1 . .
    C C26 0.7115(5) 0.7813(4) 0.6067(3) 0.0451(11) Uani d . 1 . .
    H H26 0.6466 0.8297 0.5614 0.054 Uiso calc R 1 . .
    C C27 0.6805(4) 0.7481(4) 0.6994(3) 0.0347(9) Uani d . 1 . .
    H H27 0.5908 0.7699 0.7292 0.042 Uiso calc R 1 . .
    C C28 0.8187(5) 0.4031(4) 0.6832(3) 0.0506(12) Uani d . 1 . .
    H H28 0.8401 0.3636 0.7450 0.061 Uiso calc R 1 . .
    C C29 0.9115(5) 0.4035(4) 0.6098(4) 0.0561(13) Uani d . 1 . .
    H H29 1.0089 0.3643 0.6118 0.067 Uiso calc R 1 . .
    C C30 0.8402(5) 0.4704(5) 0.5332(3) 0.0585(14) Uani d . 1 . .
    H H30 0.8787 0.4855 0.4723 0.070 Uiso calc R 1 . .
    C C31 0.7027(5) 0.5103(5) 0.5603(3) 0.0555(13) Uani d . 1 . .
    H H31 0.6290 0.5590 0.5212 0.067 Uiso calc R 1 . .
    C C32 0.6897(5) 0.4688(4) 0.6519(3) 0.0508(12) Uani d . 1 . .
    H H32 0.6055 0.4833 0.6883 0.061 Uiso calc R 1 . .
    C C33 0.8183(4) 0.6172(4) 0.8355(3) 0.0316(9) Uani d . 1 . .
    O O3 0.6180(3) 0.4056(3) 0.85991(19) 0.0426(7) Uani d . 1 . .
    O O4 0.4744(3) 0.3806(3) 0.96866(18) 0.0479(8) Uani d . 1 . .
    Fe Fe2 0.46868(7) 0.21055(6) 0.76441(4) 0.04619(19) Uani d . 1 . .
    C C12 0.5694(4) 0.2224(4) 0.8675(3) 0.0368(9) Uani d . 1 . .
    C C13 0.4924(5) 0.1491(4) 0.8992(3) 0.0525(12) Uani d . 1 . .
    H H13 0.4210 0.1696 0.9478 0.063 Uiso calc R 1 . .
    C C14 0.5337(6) 0.0442(5) 0.8478(4) 0.0721(16) Uani d . 1 . .
    H H14 0.4971 -0.0215 0.8547 0.086 Uiso calc R 1 . .
    C C15 0.6363(6) 0.0496(5) 0.7856(4) 0.0754(17) Uani d . 1 . .
    H H15 0.6837 -0.0119 0.7410 0.090 Uiso calc R 1 . .
    C C16 0.6598(4) 0.1593(4) 0.7956(3) 0.0537(13) Uani d . 1 . .
    H H16 0.7268 0.1860 0.7606 0.064 Uiso calc R 1 . .
    C C17 0.3534(6) 0.3910(5) 0.7138(4) 0.0724(16) Uani d . 1 . .
    H H17 0.3450 0.4700 0.7370 0.087 Uiso calc R 1 . .
    C C18 0.2719(6) 0.3237(7) 0.7424(4) 0.0794(18) Uani d . 1 . .
    H H18 0.1967 0.3468 0.7882 0.095 Uiso calc R 1 . .
    C C19 0.3188(6) 0.2166(6) 0.6908(4) 0.0844(19) Uani d . 1 . .
    H H19 0.2820 0.1512 0.6957 0.101 Uiso calc R 1 . .
    C C20 0.4268(7) 0.2189(7) 0.6335(4) 0.084(2) Uani d . 1 . .
    H H20 0.4782 0.1565 0.5903 0.101 Uiso calc R 1 . .
    C C21 0.4477(7) 0.3278(6) 0.6467(4) 0.0821(19) Uani d . 1 . .
    H H21 0.5160 0.3549 0.6143 0.098 Uiso calc R 1 . .
    C C22 0.5537(4) 0.3428(4) 0.9005(2) 0.0316(9) Uani d . 1 . .
    O O1W 0.8029(3) 0.5279(4) 1.0666(2) 0.0444(8) Uani d D 1 . .
    H H1WA 0.778(5) 0.480(4) 1.095(3) 0.071(19) Uiso d D 1 . .
    H H1WB 0.744(4) 0.574(5) 1.040(4) 0.09(2) Uiso d D 1 . .
    N N1 0.9756(3) 0.6996(3) 1.0187(2) 0.0415(9) Uani d . 1 . .
    C C34 0.8826(4) 0.8052(4) 0.9817(4) 0.0538(13) Uani d . 1 . .
    H H34 0.8101 0.7982 0.9600 0.065 Uiso calc R 1 . .
    C C35 0.8862(4) 0.9245(4) 0.9734(4) 0.0545(13) Uani d . 1 . .
    H H35 0.8180 0.9952 0.9469 0.065 Uiso calc R 1 . .
    C C36 0.9939(4) 0.9370(3) 1.0055(3) 0.0341(9) Uani d . 1 . .
    C C37 1.0884(5) 0.8293(4) 1.0441(3) 0.0540(13) Uani d . 1 . .
    H H37 1.1620 0.8333 1.0666 0.065 Uiso calc R 1 . .
    C C38 1.0757(5) 0.7139(4) 1.0501(3) 0.0540(13) Uani d . 1 . .
    H H38 1.1414 0.6422 1.0778 0.065 Uiso calc R 1 . .
    O O1 0.4028(3) 0.7858(3) 0.8429(2) 0.0504(8) Uani d . 1 . .
    O O2 0.3321(3) 0.6327(3) 0.8512(2) 0.0523(8) Uani d . 1 . .
    Fe Fe1 0.17992(6) 0.87763(6) 0.65468(5) 0.04489(18) Uani d . 1 . .
    C C1 0.1887(4) 0.8393(4) 0.7915(3) 0.0401(10) Uani d . 1 . .
    C C2 0.1532(5) 0.9726(4) 0.7662(3) 0.0550(13) Uani d . 1 . .
    H H2 0.2029 1.0225 0.7779 0.066 Uiso calc R 1 . .
    C C3 0.0336(5) 1.0195(5) 0.7215(4) 0.0689(15) Uani d . 1 . .
    H H3 -0.0135 1.1079 0.6958 0.083 Uiso calc R 1 . .
    C C4 -0.0059(5) 0.9184(6) 0.7186(4) 0.0673(15) Uani d . 1 . .
    H H4 -0.0850 0.9242 0.6908 0.081 Uiso calc R 1 . .
    C C5 0.0878(4) 0.8072(5) 0.7624(3) 0.0528(12) Uani d . 1 . .
    H H5 0.0853 0.7222 0.7703 0.063 Uiso calc R 1 . .
    C C6 0.3653(5) 0.7802(6) 0.6002(4) 0.0690(16) Uani d . 1 . .
    H H6 0.4446 0.7299 0.6340 0.083 Uiso calc R 1 . .
    C C7 0.3216(7) 0.9108(7) 0.5693(5) 0.090(2) Uani d . 1 . .
    H H7 0.3648 0.9683 0.5767 0.108 Uiso calc R 1 . .
    C C8 0.2066(7) 0.9415(7) 0.5227(4) 0.091(2) Uani d . 1 . .
    H H8 0.1533 1.0257 0.4930 0.109 Uiso calc R 1 . .
    C C9 0.1817(6) 0.8319(7) 0.5257(4) 0.0807(18) Uani d . 1 . .
    H H9 0.1073 0.8256 0.4991 0.097 Uiso calc R 1 . .
    C C10 0.2785(6) 0.7345(6) 0.5725(4) 0.0743(16) Uani d . 1 . .
    H H10 0.2849 0.6464 0.5850 0.089 Uiso calc R 1 . .
    C C11 0.3133(4) 0.7486(4) 0.8307(3) 0.0397(10) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Mn1 O6 . 2.167(3) yes
    Mn1 O6 2_767 2.167(3) ?
    Mn1 O1W . 2.192(3) yes
    Mn1 O1W 2_767 2.192(3) ?
    Mn1 N1 . 2.252(3) yes
    Mn1 N1 2_767 2.252(3) ?
    Mn2 O4 2_667 2.055(3) yes
    Mn2 O5 . 2.073(3) yes
    Mn2 O3 . 2.123(3) yes
    Mn2 O1 . 2.174(3) yes
    Mn2 O2 . 2.273(3) yes
    Mn2 C11 . 2.573(4) ?
    O5 C33 . 1.259(4) ?
    O6 C33 . 1.252(4) ?
    Fe3 C24 . 2.027(4) ?
    Fe3 C31 . 2.036(4) ?
    Fe3 C23 . 2.036(4) ?
    Fe3 C30 . 2.038(4) ?
    Fe3 C29 . 2.040(5) ?
    Fe3 C28 . 2.041(4) ?
    Fe3 C32 . 2.046(4) ?
    Fe3 C25 . 2.046(4) ?
    Fe3 C26 . 2.051(4) ?
    Fe3 C27 . 2.052(4) ?
    C23 C24 . 1.436(5) ?
    C23 C27 . 1.437(5) ?
    C23 C33 . 1.469(5) ?
    C24 C25 . 1.422(6) ?
    C24 H24 . 0.9800 ?
    C25 C26 . 1.411(6) ?
    C25 H25 . 0.9800 ?
    C26 C27 . 1.423(5) ?
    C26 H26 . 0.9800 ?
    C27 H27 . 0.9800 ?
    C28 C29 . 1.407(6) ?
    C28 C32 . 1.408(6) ?
    C28 H28 . 0.9800 ?
    C29 C30 . 1.410(7) ?
    C29 H29 . 0.9800 ?
    C30 C31 . 1.415(6) ?
    C30 H30 . 0.9800 ?
    C31 C32 . 1.395(6) ?
    C31 H31 . 0.9800 ?
    C32 H32 . 0.9800 ?
    O3 C22 . 1.259(4) ?
    O4 C22 . 1.259(4) ?
    O4 Mn2 2_667 2.055(3) ?
    Fe2 C16 . 2.030(5) ?
    Fe2 C15 . 2.030(6) ?
    Fe2 C17 . 2.034(6) ?
    Fe2 C20 . 2.035(5) ?
    Fe2 C21 . 2.038(6) ?
    Fe2 C12 . 2.041(4) ?
    Fe2 C14 . 2.042(6) ?
    Fe2 C13 . 2.046(5) ?
    Fe2 C19 . 2.054(6) ?
    Fe2 C18 . 2.058(6) ?
    C12 C13 . 1.425(6) ?
    C12 C16 . 1.427(6) ?
    C12 C22 . 1.470(5) ?
    C13 C14 . 1.403(7) ?
    C13 H13 . 0.9800 ?
    C14 C15 . 1.392(7) ?
    C14 H14 . 0.9800 ?
    C15 C16 . 1.416(6) ?
    C15 H15 . 0.9800 ?
    C16 H16 . 0.9800 ?
    C17 C21 . 1.395(8) ?
    C17 C18 . 1.404(7) ?
    C17 H17 . 0.9800 ?
    C18 C19 . 1.421(8) ?
    C18 H18 . 0.9800 ?
    C19 C20 . 1.387(7) ?
    C19 H19 . 0.9800 ?
    C20 C21 . 1.403(8) ?
    C20 H20 . 0.9800 ?
    C21 H21 . 0.9800 ?
    O1W H1WA . 0.76(3) ?
    O1W H1WB . 0.76(3) ?
    N1 C38 . 1.320(5) ?
    N1 C34 . 1.328(6) ?
    C34 C35 . 1.376(6) ?
    C34 H34 . 0.9300 ?
    C35 C36 . 1.392(5) ?
    C35 H35 . 0.9300 ?
    C36 C37 . 1.358(6) ?
    C36 C36 2_777 1.495(7) ?
    C37 C38 . 1.380(6) ?
    C37 H37 . 0.9300 ?
    C38 H38 . 0.9300 ?
    O1 C11 . 1.260(5) ?
    O2 C11 . 1.263(5) ?
    Fe1 C6 . 2.018(5) ?
    Fe1 C7 . 2.022(5) ?
    Fe1 C1 . 2.031(4) ?
    Fe1 C8 . 2.036(6) ?
    Fe1 C2 . 2.037(5) ?
    Fe1 C10 . 2.042(5) ?
    Fe1 C3 . 2.042(5) ?
    Fe1 C4 . 2.047(5) ?
    Fe1 C5 . 2.049(5) ?
    Fe1 C9 . 2.055(6) ?
    C1 C2 . 1.427(6) ?
    C1 C5 . 1.427(6) ?
    C1 C11 . 1.470(6) ?
    C2 C3 . 1.411(7) ?
    C2 H2 . 0.9800 ?
    C3 C4 . 1.403(7) ?
    C3 H3 . 0.9800 ?
    C4 C5 . 1.407(7) ?
    C4 H4 . 0.9800 ?
    C5 H5 . 0.9800 ?
    C6 C10 . 1.383(7) ?
    C6 C7 . 1.406(9) ?
    C6 H6 . 0.9800 ?
    C7 C8 . 1.406(9) ?
    C7 H7 . 0.9800 ?
    C8 C9 . 1.388(9) ?
    C8 H8 . 0.9800 ?
    C9 C10 . 1.365(8) ?
    C9 H9 . 0.9800 ?
    C10 H10 . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O6 Mn1 O6 . 2_767 180.0000(10)
                                 ?
    O6 Mn1 O1W . . 96.16(12) yes
    O6 Mn1 O1W 2_767 . 83.84(12) yes
    O6 Mn1 O1W . 2_767 83.84(12) ?
    O6 Mn1 O1W 2_767 2_767 96.16(12) ?
    O1W Mn1 O1W . 2_767 180.0 ?
    O6 Mn1 N1 . . 88.43(12) yes
    O6 Mn1 N1 2_767 . 91.57(12) yes
    O1W Mn1 N1 . . 92.86(13) yes
    O1W Mn1 N1 2_767 . 87.14(13) yes
    O6 Mn1 N1 . 2_767 91.57(12) ?
    O6 Mn1 N1 2_767 2_767 88.43(12) ?
    O1W Mn1 N1 . 2_767 87.14(13) ?
    O1W Mn1 N1 2_767 2_767 92.86(13) ?
    N1 Mn1 N1 . 2_767 180.0000(10)
                                 ?
    O4 Mn2 O5 2_667 . 87.53(11) yes
    O4 Mn2 O3 2_667 . 116.69(12) yes
    O5 Mn2 O3 . . 96.43(11) yes
    O4 Mn2 O1 2_667 . 101.24(12) yes
    O5 Mn2 O1 . . 100.32(11) yes
    O3 Mn2 O1 . . 139.01(12) yes
    O4 Mn2 O2 2_667 . 110.57(12) yes
    O5 Mn2 O2 . . 153.78(11) yee
    O3 Mn2 O2 . . 92.14(11) yes
    O1 Mn2 O2 . . 58.64(10) yes
    O4 Mn2 C11 2_667 . 108.33(12) ?
    O5 Mn2 C11 . . 128.02(12) ?
    O3 Mn2 C11 . . 117.02(12) ?
    O1 Mn2 C11 . . 29.26(11) ?
    O2 Mn2 C11 . . 29.38(11) ?
    C33 O5 Mn2 . . 149.0(3) ?
    C33 O6 Mn1 . . 131.4(3) ?
    C24 Fe3 C31 . . 162.08(18) ?
    C24 Fe3 C23 . . 41.39(15) ?
    C31 Fe3 C23 . . 155.80(17) ?
    C24 Fe3 C30 . . 124.03(18) ?
    C31 Fe3 C30 . . 40.64(18) ?
    C23 Fe3 C30 . . 161.9(2) ?
    C24 Fe3 C29 . . 106.29(19) ?
    C31 Fe3 C29 . . 67.8(2) ?
    C23 Fe3 C29 . . 124.98(19) ?
    C30 Fe3 C29 . . 40.5(2) ?
    C24 Fe3 C28 . . 119.65(19) ?
    C31 Fe3 C28 . . 67.6(2) ?
    C23 Fe3 C28 . . 107.66(17) ?
    C30 Fe3 C28 . . 68.05(19) ?
    C29 Fe3 C28 . . 40.34(18) ?
    C24 Fe3 C32 . . 155.33(19) ?
    C31 Fe3 C32 . . 39.98(18) ?
    C23 Fe3 C32 . . 121.01(17) ?
    C30 Fe3 C32 . . 67.94(18) ?
    C29 Fe3 C32 . . 67.74(19) ?
    C28 Fe3 C32 . . 40.31(18) ?
    C24 Fe3 C25 . . 40.87(17) ?
    C31 Fe3 C25 . . 125.91(19) ?
    C23 Fe3 C25 . . 68.82(16) ?
    C30 Fe3 C25 . . 107.02(18) ?
    C29 Fe3 C25 . . 119.63(19) ?
    C28 Fe3 C25 . . 154.5(2) ?
    C32 Fe3 C25 . . 163.2(2) ?
    C24 Fe3 C26 . . 68.74(18) ?
    C31 Fe3 C26 . . 108.8(2) ?
    C23 Fe3 C26 . . 68.83(17) ?
    C30 Fe3 C26 . . 120.2(2) ?
    C29 Fe3 C26 . . 154.41(19) ?
    C28 Fe3 C26 . . 164.02(18) ?
    C32 Fe3 C26 . . 127.04(19) ?
    C25 Fe3 C26 . . 40.29(17) ?
    C24 Fe3 C27 . . 69.21(16) ?
    C31 Fe3 C27 . . 121.26(19) ?
    C23 Fe3 C27 . . 41.15(15) ?
    C30 Fe3 C27 . . 155.4(2) ?
    C29 Fe3 C27 . . 163.22(19) ?
    C28 Fe3 C27 . . 126.70(17) ?
    C32 Fe3 C27 . . 109.21(17) ?
    C25 Fe3 C27 . . 68.23(16) ?
    C26 Fe3 C27 . . 40.58(15) ?
    C24 C23 C27 . . 107.5(4) ?
    C24 C23 C33 . . 126.5(4) ?
    C27 C23 C33 . . 125.9(3) ?
    C24 C23 Fe3 . . 69.0(2) ?
    C27 C23 Fe3 . . 70.0(2) ?
    C33 C23 Fe3 . . 124.3(3) ?
    C25 C24 C23 . . 107.6(4) ?
    C25 C24 Fe3 . . 70.3(2) ?
    C23 C24 Fe3 . . 69.6(2) ?
    C25 C24 H24 . . 126.2 ?
    C23 C24 H24 . . 126.2 ?
    Fe3 C24 H24 . . 126.2 ?
    C26 C25 C24 . . 108.7(4) ?
    C26 C25 Fe3 . . 70.0(2) ?
    C24 C25 Fe3 . . 68.8(2) ?
    C26 C25 H25 . . 125.6 ?
    C24 C25 H25 . . 125.6 ?
    Fe3 C25 H25 . . 125.6 ?
    C25 C26 C27 . . 108.4(4) ?
    C25 C26 Fe3 . . 69.7(2) ?
    C27 C26 Fe3 . . 69.7(2) ?
    C25 C26 H26 . . 125.8 ?
    C27 C26 H26 . . 125.8 ?
    Fe3 C26 H26 . . 125.8 ?
    C26 C27 C23 . . 107.8(4) ?
    C26 C27 Fe3 . . 69.7(2) ?
    C23 C27 Fe3 . . 68.9(2) ?
    C26 C27 H27 . . 126.1 ?
    C23 C27 H27 . . 126.1 ?
    Fe3 C27 H27 . . 126.1 ?
    C29 C28 C32 . . 108.0(5) ?
    C29 C28 Fe3 . . 69.8(3) ?
    C32 C28 Fe3 . . 70.0(3) ?
    C29 C28 H28 . . 126.0 ?
    C32 C28 H28 . . 126.0 ?
    Fe3 C28 H28 . . 126.0 ?
    C28 C29 C30 . . 108.2(5) ?
    C28 C29 Fe3 . . 69.9(3) ?
    C30 C29 Fe3 . . 69.7(3) ?
    C28 C29 H29 . . 125.9 ?
    C30 C29 H29 . . 125.9 ?
    Fe3 C29 H29 . . 125.9 ?
    C29 C30 C31 . . 107.2(4) ?
    C29 C30 Fe3 . . 69.8(3) ?
    C31 C30 Fe3 . . 69.6(2) ?
    C29 C30 H30 . . 126.4 ?
    C31 C30 H30 . . 126.4 ?
    Fe3 C30 H30 . . 126.4 ?
    C32 C31 C30 . . 108.6(5) ?
    C32 C31 Fe3 . . 70.4(2) ?
    C30 C31 Fe3 . . 69.8(2) ?
    C32 C31 H31 . . 125.7 ?
    C30 C31 H31 . . 125.7 ?
    Fe3 C31 H31 . . 125.7 ?
    C31 C32 C28 . . 108.0(4) ?
    C31 C32 Fe3 . . 69.6(3) ?
    C28 C32 Fe3 . . 69.6(2) ?
    C31 C32 H32 . . 126.0 ?
    C28 C32 H32 . . 126.0 ?
    Fe3 C32 H32 . . 126.0 ?
    O6 C33 O5 . . 123.5(4) ?
    O6 C33 C23 . . 117.8(3) ?
    O5 C33 C23 . . 118.7(3) ?
    C22 O3 Mn2 . . 111.4(2) ?
    C22 O4 Mn2 . 2_667 143.9(3) ?
    C16 Fe2 C15 . . 40.81(19) ?
    C16 Fe2 C17 . . 122.5(2) ?
    C15 Fe2 C17 . . 158.1(3) ?
    C16 Fe2 C20 . . 120.1(2) ?
    C15 Fe2 C20 . . 106.4(3) ?
    C17 Fe2 C20 . . 67.5(3) ?
    C16 Fe2 C21 . . 105.4(2) ?
    C15 Fe2 C21 . . 121.7(3) ?
    C17 Fe2 C21 . . 40.1(2) ?
    C20 Fe2 C21 . . 40.3(2) ?
    C16 Fe2 C12 . . 41.03(16) ?
    C15 Fe2 C12 . . 68.33(19) ?
    C17 Fe2 C12 . . 108.51(19) ?
    C20 Fe2 C12 . . 156.7(2) ?
    C21 Fe2 C12 . . 121.72(19) ?
    C16 Fe2 C14 . . 68.5(2) ?
    C15 Fe2 C14 . . 40.0(2) ?
    C17 Fe2 C14 . . 160.9(3) ?
    C20 Fe2 C14 . . 123.0(2) ?
    C21 Fe2 C14 . . 157.9(3) ?
    C12 Fe2 C14 . . 68.46(19) ?
    C16 Fe2 C13 . . 68.45(19) ?
    C15 Fe2 C13 . . 67.3(2) ?
    C17 Fe2 C13 . . 125.4(2) ?
    C20 Fe2 C13 . . 160.0(2) ?
    C21 Fe2 C13 . . 159.3(2) ?
    C12 Fe2 C13 . . 40.82(16) ?
    C14 Fe2 C13 . . 40.13(19) ?
    C16 Fe2 C19 . . 156.3(2) ?
    C15 Fe2 C19 . . 122.4(2) ?
    C17 Fe2 C19 . . 67.2(2) ?
    C20 Fe2 C19 . . 39.7(2) ?
    C21 Fe2 C19 . . 67.1(2) ?
    C12 Fe2 C19 . . 162.1(2) ?
    C14 Fe2 C19 . . 109.5(2) ?
    C13 Fe2 C19 . . 126.3(2) ?
    C16 Fe2 C18 . . 159.7(2) ?
    C15 Fe2 C18 . . 159.1(2) ?
    C17 Fe2 C18 . . 40.1(2) ?
    C20 Fe2 C18 . . 67.7(2) ?
    C21 Fe2 C18 . . 67.6(2) ?
    C12 Fe2 C18 . . 125.1(2) ?
    C14 Fe2 C18 . . 125.1(2) ?
    C13 Fe2 C18 . . 111.0(2) ?
    C19 Fe2 C18 . . 40.4(2) ?
    C13 C12 C16 . . 107.0(4) ?
    C13 C12 C22 . . 126.0(4) ?
    C16 C12 C22 . . 126.9(4) ?
    C13 C12 Fe2 . . 69.8(2) ?
    C16 C12 Fe2 . . 69.1(2) ?
    C22 C12 Fe2 . . 124.4(3) ?
    C14 C13 C12 . . 108.6(4) ?
    C14 C13 Fe2 . . 69.8(3) ?
    C12 C13 Fe2 . . 69.4(2) ?
    C14 C13 H13 . . 125.7 ?
    C12 C13 H13 . . 125.7 ?
    Fe2 C13 H13 . . 125.7 ?
    C15 C14 C13 . . 107.9(4) ?
    C15 C14 Fe2 . . 69.6(3) ?
    C13 C14 Fe2 . . 70.1(3) ?
    C15 C14 H14 . . 126.0 ?
    C13 C14 H14 . . 126.0 ?
    Fe2 C14 H14 . . 126.0 ?
    C14 C15 C16 . . 109.3(4) ?
    C14 C15 Fe2 . . 70.5(3) ?
    C16 C15 Fe2 . . 69.6(3) ?
    C14 C15 H15 . . 125.3 ?
    C16 C15 H15 . . 125.3 ?
    Fe2 C15 H15 . . 125.3 ?
    C15 C16 C12 . . 107.1(4) ?
    C15 C16 Fe2 . . 69.6(3) ?
    C12 C16 Fe2 . . 69.9(2) ?
    C15 C16 H16 . . 126.4 ?
    C12 C16 H16 . . 126.4 ?
    Fe2 C16 H16 . . 126.4 ?
    C21 C17 C18 . . 109.0(5) ?
    C21 C17 Fe2 . . 70.1(3) ?
    C18 C17 Fe2 . . 70.9(4) ?
    C21 C17 H17 . . 125.5 ?
    C18 C17 H17 . . 125.5 ?
    Fe2 C17 H17 . . 125.5 ?
    C17 C18 C19 . . 106.4(5) ?
    C17 C18 Fe2 . . 69.0(3) ?
    C19 C18 Fe2 . . 69.6(4) ?
    C17 C18 H18 . . 126.8 ?
    C19 C18 H18 . . 126.8 ?
    Fe2 C18 H18 . . 126.8 ?
    C20 C19 C18 . . 108.5(5) ?
    C20 C19 Fe2 . . 69.4(3) ?
    C18 C19 Fe2 . . 69.9(3) ?
    C20 C19 H19 . . 125.7 ?
    C18 C19 H19 . . 125.7 ?
    Fe2 C19 H19 . . 125.7 ?
    C19 C20 C21 . . 108.2(5) ?
    C19 C20 Fe2 . . 70.9(3) ?
    C21 C20 Fe2 . . 70.0(3) ?
    C19 C20 H20 . . 125.9 ?
    C21 C20 H20 . . 125.9 ?
    Fe2 C20 H20 . . 125.9 ?
    C17 C21 C20 . . 107.8(5) ?
    C17 C21 Fe2 . . 69.9(3) ?
    C20 C21 Fe2 . . 69.7(3) ?
    C17 C21 H21 . . 126.1 ?
    C20 C21 H21 . . 126.1 ?
    Fe2 C21 H21 . . 126.1 ?
    O4 C22 O3 . . 122.0(4) ?
    O4 C22 C12 . . 118.3(4) ?
    O3 C22 C12 . . 119.6(3) ?
    Mn1 O1W H1WA . . 130(4) ?
    Mn1 O1W H1WB . . 115(5) ?
    H1WA O1W H1WB . . 106(6) ?
    C38 N1 C34 . . 116.0(4) ?
    C38 N1 Mn1 . . 117.9(3) ?
    C34 N1 Mn1 . . 124.2(3) ?
    N1 C34 C35 . . 124.4(4) ?
    N1 C34 H34 . . 117.8 ?
    C35 C34 H34 . . 117.8 ?
    C34 C35 C36 . . 118.6(4) ?
    C34 C35 H35 . . 120.7 ?
    C36 C35 H35 . . 120.7 ?
    C37 C36 C35 . . 117.0(4) ?
    C37 C36 C36 . 2_777 122.1(5) ?
    C35 C36 C36 . 2_777 120.9(5) ?
    C36 C37 C38 . . 120.3(4) ?
    C36 C37 H37 . . 119.9 ?
    C38 C37 H37 . . 119.9 ?
    N1 C38 C37 . . 123.7(4) ?
    N1 C38 H38 . . 118.2 ?
    C37 C38 H38 . . 118.2 ?
    C11 O1 Mn2 . . 93.2(3) ?
    C11 O2 Mn2 . . 88.6(2) ?
    C6 Fe1 C7 . . 40.7(2) ?
    C6 Fe1 C1 . . 106.5(2) ?
    C7 Fe1 C1 . . 124.8(3) ?
    C6 Fe1 C8 . . 67.5(2) ?
    C7 Fe1 C8 . . 40.5(3) ?
    C1 Fe1 C8 . . 163.3(3) ?
    C6 Fe1 C2 . . 120.4(2) ?
    C7 Fe1 C2 . . 108.0(2) ?
    C1 Fe1 C2 . . 41.07(17) ?
    C8 Fe1 C2 . . 127.2(3) ?
    C6 Fe1 C10 . . 39.8(2) ?
    C7 Fe1 C10 . . 67.4(2) ?
    C1 Fe1 C10 . . 119.8(2) ?
    C8 Fe1 C10 . . 66.3(3) ?
    C2 Fe1 C10 . . 155.0(2) ?
    C6 Fe1 C3 . . 156.2(2) ?
    C7 Fe1 C3 . . 121.9(3) ?
    C1 Fe1 C3 . . 68.4(2) ?
    C8 Fe1 C3 . . 110.4(2) ?
    C2 Fe1 C3 . . 40.5(2) ?
    C10 Fe1 C3 . . 163.0(3) ?
    C6 Fe1 C4 . . 161.6(3) ?
    C7 Fe1 C4 . . 156.5(3) ?
    C1 Fe1 C4 . . 68.47(19) ?
    C8 Fe1 C4 . . 122.1(3) ?
    C2 Fe1 C4 . . 68.1(2) ?
    C10 Fe1 C4 . . 126.0(2) ?
    C3 Fe1 C4 . . 40.1(2) ?
    C6 Fe1 C5 . . 124.6(2) ?
    C7 Fe1 C5 . . 162.0(3) ?
    C1 Fe1 C5 . . 40.95(16) ?
    C8 Fe1 C5 . . 155.3(3) ?
    C2 Fe1 C5 . . 68.46(19) ?
    C10 Fe1 C5 . . 107.9(2) ?
    C3 Fe1 C5 . . 67.6(2) ?
    C4 Fe1 C5 . . 40.2(2) ?
    C6 Fe1 C9 . . 66.7(2) ?
    C7 Fe1 C9 . . 67.5(3) ?
    C1 Fe1 C9 . . 154.0(2) ?
    C8 Fe1 C9 . . 39.7(3) ?
    C2 Fe1 C9 . . 164.3(2) ?
    C10 Fe1 C9 . . 38.9(2) ?
    C3 Fe1 C9 . . 127.9(2) ?
    C4 Fe1 C9 . . 109.6(2) ?
    C5 Fe1 C9 . . 120.6(2) ?
    C2 C1 C5 . . 107.3(4) ?
    C2 C1 C11 . . 126.4(4) ?
    C5 C1 C11 . . 126.0(4) ?
    C2 C1 Fe1 . . 69.7(3) ?
    C5 C1 Fe1 . . 70.2(3) ?
    C11 C1 Fe1 . . 120.2(3) ?
    C3 C2 C1 . . 107.6(4) ?
    C3 C2 Fe1 . . 70.0(3) ?
    C1 C2 Fe1 . . 69.2(2) ?
    C3 C2 H2 . . 126.2 ?
    C1 C2 H2 . . 126.2 ?
    Fe1 C2 H2 . . 126.2 ?
    C4 C3 C2 . . 108.8(5) ?
    C4 C3 Fe1 . . 70.1(3) ?
    C2 C3 Fe1 . . 69.6(3) ?
    C4 C3 H3 . . 125.6 ?
    C2 C3 H3 . . 125.6 ?
    Fe1 C3 H3 . . 125.6 ?
    C3 C4 C5 . . 108.3(5) ?
    C3 C4 Fe1 . . 69.8(3) ?
    C5 C4 Fe1 . . 70.0(3) ?
    C3 C4 H4 . . 125.9 ?
    C5 C4 H4 . . 125.9 ?
    Fe1 C4 H4 . . 125.9 ?
    C4 C5 C1 . . 108.1(4) ?
    C4 C5 Fe1 . . 69.8(3) ?
    C1 C5 Fe1 . . 68.8(3) ?
    C4 C5 H5 . . 126.0 ?
    C1 C5 H5 . . 126.0 ?
    Fe1 C5 H5 . . 126.0 ?
    C10 C6 C7 . . 107.9(5) ?
    C10 C6 Fe1 . . 71.0(3) ?
    C7 C6 Fe1 . . 69.8(3) ?
    C10 C6 H6 . . 126.0 ?
    C7 C6 H6 . . 126.0 ?
    Fe1 C6 H6 . . 126.0 ?
    C8 C7 C6 . . 106.4(5) ?
    C8 C7 Fe1 . . 70.3(3) ?
    C6 C7 Fe1 . . 69.5(3) ?
    C8 C7 H7 . . 126.8 ?
    C6 C7 H7 . . 126.8 ?
    Fe1 C7 H7 . . 126.8 ?
    C9 C8 C7 . . 108.3(6) ?
    C9 C8 Fe1 . . 70.9(4) ?
    C7 C8 Fe1 . . 69.2(4) ?
    C9 C8 H8 . . 125.8 ?
    C7 C8 H8 . . 125.8 ?
    Fe1 C8 H8 . . 125.8 ?
    C10 C9 C8 . . 108.1(6) ?
    C10 C9 Fe1 . . 70.0(3) ?
    C8 C9 Fe1 . . 69.4(3) ?
    C10 C9 H9 . . 125.9 ?
    C8 C9 H9 . . 125.9 ?
    Fe1 C9 H9 . . 125.9 ?
    C9 C10 C6 . . 109.2(6) ?
    C9 C10 Fe1 . . 71.1(3) ?
    C6 C10 Fe1 . . 69.1(3) ?
    C9 C10 H10 . . 125.4 ?
    C6 C10 H10 . . 125.4 ?
    Fe1 C10 H10 . . 125.4 ?
    O1 C11 O2 . . 119.6(4) ?
    O1 C11 C1 . . 120.2(4) ?
    O2 C11 C1 . . 120.3(4) ?
    O1 C11 Mn2 . . 57.5(2) ?
    O2 C11 Mn2 . . 62.0(2) ?
    C1 C11 Mn2 . . 177.4(3) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O4 Mn2 O5 C33 2_667 . . . 172.6(5) ?
    O3 Mn2 O5 C33 . . . . 56.0(5) ?
    O1 Mn2 O5 C33 . . . . -86.4(5) ?
    O2 Mn2 O5 C33 . . . . -52.3(6) ?
    C11 Mn2 O5 C33 . . . . -75.9(6) ?
    O6 Mn1 O6 C33 2_767 . . .  5E1(10)
                                      ?
    O1W Mn1 O6 C33 . . . . 4.3(3) ?
    O1W Mn1 O6 C33 2_767 . . . -175.7(3) ?
    N1 Mn1 O6 C33 . . . . -88.4(3) ?
    N1 Mn1 O6 C33 2_767 . . . 91.6(3) ?
    C31 Fe3 C23 C24 . . . . -170.4(4) ?
    C30 Fe3 C23 C24 . . . . 41.8(7) ?
    C29 Fe3 C23 C24 . . . . 74.0(3) ?
    C28 Fe3 C23 C24 . . . . 115.1(3) ?
    C32 Fe3 C23 C24 . . . . 157.1(3) ?
    C25 Fe3 C23 C24 . . . . -38.1(3) ?
    C26 Fe3 C23 C24 . . . . -81.5(3) ?
    C27 Fe3 C23 C24 . . . . -118.8(3) ?
    C24 Fe3 C23 C27 . . . . 118.8(3) ?
    C31 Fe3 C23 C27 . . . . -51.5(5) ?
    C30 Fe3 C23 C27 . . . . 160.7(5) ?
    C29 Fe3 C23 C27 . . . . -167.2(2) ?
    C28 Fe3 C23 C27 . . . . -126.1(2) ?
    C32 Fe3 C23 C27 . . . . -84.0(3) ?
    C25 Fe3 C23 C27 . . . . 80.7(3) ?
    C26 Fe3 C23 C27 . . . . 37.4(2) ?
    C24 Fe3 C23 C33 . . . . -120.6(4) ?
    C31 Fe3 C23 C33 . . . . 69.0(6) ?
    C30 Fe3 C23 C33 . . . . -78.8(6) ?
    C29 Fe3 C23 C33 . . . . -46.7(4) ?
    C28 Fe3 C23 C33 . . . . -5.6(4) ?
    C32 Fe3 C23 C33 . . . . 36.5(4) ?
    C25 Fe3 C23 C33 . . . . -158.8(4) ?
    C26 Fe3 C23 C33 . . . . 157.9(4) ?
    C27 Fe3 C23 C33 . . . . 120.5(4) ?
    C27 C23 C24 C25 . . . . 0.6(4) ?
    C33 C23 C24 C25 . . . . 178.1(3) ?
    Fe3 C23 C24 C25 . . . . 60.3(3) ?
    C27 C23 C24 Fe3 . . . . -59.6(3) ?
    C33 C23 C24 Fe3 . . . . 117.8(4) ?
    C31 Fe3 C24 C25 . . . . 48.7(7) ?
    C23 Fe3 C24 C25 . . . . -118.4(4) ?
    C30 Fe3 C24 C25 . . . . 76.1(3) ?
    C29 Fe3 C24 C25 . . . . 116.7(3) ?
    C28 Fe3 C24 C25 . . . . 158.3(3) ?
    C32 Fe3 C24 C25 . . . . -171.3(4) ?
    C26 Fe3 C24 C25 . . . . -36.8(2) ?
    C27 Fe3 C24 C25 . . . . -80.4(3) ?
    C31 Fe3 C24 C23 . . . . 167.1(6) ?
    C30 Fe3 C24 C23 . . . . -165.5(3) ?
    C29 Fe3 C24 C23 . . . . -124.9(3) ?
    C28 Fe3 C24 C23 . . . . -83.2(3) ?
    C32 Fe3 C24 C23 . . . . -52.9(5) ?
    C25 Fe3 C24 C23 . . . . 118.4(4) ?
    C26 Fe3 C24 C23 . . . . 81.7(3) ?
    C27 Fe3 C24 C23 . . . . 38.1(2) ?
    C23 C24 C25 C26 . . . . -1.1(5) ?
    Fe3 C24 C25 C26 . . . . 58.8(3) ?
    C23 C24 C25 Fe3 . . . . -59.9(3) ?
    C24 Fe3 C25 C26 . . . . -120.4(4) ?
    C31 Fe3 C25 C26 . . . . 76.2(3) ?
    C23 Fe3 C25 C26 . . . . -81.8(3) ?
    C30 Fe3 C25 C26 . . . . 116.8(3) ?
    C29 Fe3 C25 C26 . . . . 159.0(3) ?
    C28 Fe3 C25 C26 . . . . -168.6(4) ?
    C32 Fe3 C25 C26 . . . . 47.0(7) ?
    C27 Fe3 C25 C26 . . . . -37.5(2) ?
    C31 Fe3 C25 C24 . . . . -163.4(3) ?
    C23 Fe3 C25 C24 . . . . 38.6(2) ?
    C30 Fe3 C25 C24 . . . . -122.7(3) ?
    C29 Fe3 C25 C24 . . . . -80.6(3) ?
    C28 Fe3 C25 C24 . . . . -48.2(5) ?
    C32 Fe3 C25 C24 . . . . 167.4(5) ?
    C26 Fe3 C25 C24 . . . . 120.4(4) ?
    C27 Fe3 C25 C24 . . . . 82.9(3) ?
    C24 C25 C26 C27 . . . . 1.1(5) ?
    Fe3 C25 C26 C27 . . . . 59.2(3) ?
    C24 C25 C26 Fe3 . . . . -58.1(3) ?
    C24 Fe3 C26 C25 . . . . 37.3(2) ?
    C31 Fe3 C26 C25 . . . . -123.8(3) ?
    C23 Fe3 C26 C25 . . . . 81.8(3) ?
    C30 Fe3 C26 C25 . . . . -80.7(3) ?
    C29 Fe3 C26 C25 . . . . -46.1(5) ?
    C28 Fe3 C26 C25 . . . . 162.0(6) ?
    C32 Fe3 C26 C25 . . . . -164.6(3) ?
    C27 Fe3 C26 C25 . . . . 119.7(4) ?
    C24 Fe3 C26 C27 . . . . -82.5(3) ?
    C31 Fe3 C26 C27 . . . . 116.5(3) ?
    C23 Fe3 C26 C27 . . . . -37.9(2) ?
    C30 Fe3 C26 C27 . . . . 159.6(3) ?
    C29 Fe3 C26 C27 . . . . -165.8(4) ?
    C28 Fe3 C26 C27 . . . . 42.3(8) ?
    C32 Fe3 C26 C27 . . . . 75.7(3) ?
    C25 Fe3 C26 C27 . . . . -119.7(4) ?
    C25 C26 C27 C23 . . . . -0.7(4) ?
    Fe3 C26 C27 C23 . . . . 58.5(3) ?
    C25 C26 C27 Fe3 . . . . -59.1(3) ?
    C24 C23 C27 C26 . . . . 0.0(4) ?
    C33 C23 C27 C26 . . . . -177.5(3) ?
    Fe3 C23 C27 C26 . . . . -59.0(3) ?
    C24 C23 C27 Fe3 . . . . 59.0(3) ?
    C33 C23 C27 Fe3 . . . . -118.5(4) ?
    C24 Fe3 C27 C26 . . . . 81.2(3) ?
    C31 Fe3 C27 C26 . . . . -82.6(3) ?
    C23 Fe3 C27 C26 . . . . 119.5(3) ?
    C30 Fe3 C27 C26 . . . . -46.2(5) ?
    C29 Fe3 C27 C26 . . . . 158.5(6) ?
    C28 Fe3 C27 C26 . . . . -166.6(3) ?
    C32 Fe3 C27 C26 . . . . -125.0(3) ?
    C25 Fe3 C27 C26 . . . . 37.2(2) ?
    C24 Fe3 C27 C23 . . . . -38.3(2) ?
    C31 Fe3 C27 C23 . . . . 158.0(2) ?
    C30 Fe3 C27 C23 . . . . -165.7(4) ?
    C29 Fe3 C27 C23 . . . . 39.0(7) ?
    C28 Fe3 C27 C23 . . . . 73.9(3) ?
    C32 Fe3 C27 C23 . . . . 115.5(2) ?
    C25 Fe3 C27 C23 . . . . -82.3(2) ?
    C26 Fe3 C27 C23 . . . . -119.5(3) ?
    C24 Fe3 C28 C29 . . . . -80.1(3) ?
    C31 Fe3 C28 C29 . . . . 81.6(3) ?
    C23 Fe3 C28 C29 . . . . -123.7(3) ?
    C30 Fe3 C28 C29 . . . . 37.6(3) ?
    C32 Fe3 C28 C29 . . . . 118.9(4) ?
    C25 Fe3 C28 C29 . . . . -46.0(5) ?
    C26 Fe3 C28 C29 . . . . 161.7(6) ?
    C27 Fe3 C28 C29 . . . . -165.2(3) ?
    C24 Fe3 C28 C32 . . . . 161.0(3) ?
    C31 Fe3 C28 C32 . . . . -37.3(3) ?
    C23 Fe3 C28 C32 . . . . 117.4(3) ?
    C30 Fe3 C28 C32 . . . . -81.3(3) ?
    C29 Fe3 C28 C32 . . . . -118.9(4) ?
    C25 Fe3 C28 C32 . . . . -164.9(4) ?
    C26 Fe3 C28 C32 . . . . 42.8(8) ?
    C27 Fe3 C28 C32 . . . . 75.9(3) ?
    C32 C28 C29 C30 . . . . 0.5(5) ?
    Fe3 C28 C29 C30 . . . . -59.4(3) ?
    C32 C28 C29 Fe3 . . . . 59.9(3) ?
    C24 Fe3 C29 C28 . . . . 116.9(3) ?
    C31 Fe3 C29 C28 . . . . -81.1(3) ?
    C23 Fe3 C29 C28 . . . . 75.4(3) ?
    C30 Fe3 C29 C28 . . . . -119.4(4) ?
    C32 Fe3 C29 C28 . . . . -37.7(3) ?
    C25 Fe3 C29 C28 . . . . 159.1(3) ?
    C26 Fe3 C29 C28 . . . . -168.4(4) ?
    C27 Fe3 C29 C28 . . . . 45.0(7) ?
    C24 Fe3 C29 C30 . . . . -123.8(3) ?
    C31 Fe3 C29 C30 . . . . 38.3(3) ?
    C23 Fe3 C29 C30 . . . . -165.2(3) ?
    C28 Fe3 C29 C30 . . . . 119.4(4) ?
    C32 Fe3 C29 C30 . . . . 81.6(3) ?
    C25 Fe3 C29 C30 . . . . -81.5(3) ?
    C26 Fe3 C29 C30 . . . . -49.1(6) ?
    C27 Fe3 C29 C30 . . . . 164.4(5) ?
    C28 C29 C30 C31 . . . . -0.4(5) ?
    Fe3 C29 C30 C31 . . . . -59.8(3) ?
    C28 C29 C30 Fe3 . . . . 59.5(3) ?
    C24 Fe3 C30 C29 . . . . 74.3(3) ?
    C31 Fe3 C30 C29 . . . . -118.2(4) ?
    C23 Fe3 C30 C29 . . . . 42.2(7) ?
    C28 Fe3 C30 C29 . . . . -37.5(3) ?
    C32 Fe3 C30 C29 . . . . -81.1(3) ?
    C25 Fe3 C30 C29 . . . . 116.0(3) ?
    C26 Fe3 C30 C29 . . . . 157.8(3) ?
    C27 Fe3 C30 C29 . . . . -169.3(4) ?
    C24 Fe3 C30 C31 . . . . -167.4(3) ?
    C23 Fe3 C30 C31 . . . . 160.4(5) ?
    C29 Fe3 C30 C31 . . . . 118.2(4) ?
    C28 Fe3 C30 C31 . . . . 80.8(3) ?
    C32 Fe3 C30 C31 . . . . 37.1(3) ?
    C25 Fe3 C30 C31 . . . . -125.8(3) ?
    C26 Fe3 C30 C31 . . . . -84.0(3) ?
    C27 Fe3 C30 C31 . . . . -51.1(5) ?
    C29 C30 C31 C32 . . . . 0.1(5) ?
    Fe3 C30 C31 C32 . . . . -59.9(3) ?
    C29 C30 C31 Fe3 . . . . 60.0(3) ?
    C24 Fe3 C31 C32 . . . . 155.3(6) ?
    C23 Fe3 C31 C32 . . . . -45.8(6) ?
    C30 Fe3 C31 C32 . . . . 119.5(4) ?
    C29 Fe3 C31 C32 . . . . 81.3(3) ?
    C28 Fe3 C31 C32 . . . . 37.6(3) ?
    C25 Fe3 C31 C32 . . . . -167.3(3) ?
    C26 Fe3 C31 C32 . . . . -125.8(3) ?
    C27 Fe3 C31 C32 . . . . -82.8(3) ?
    C24 Fe3 C31 C30 . . . . 35.9(8) ?
    C23 Fe3 C31 C30 . . . . -165.2(4) ?
    C29 Fe3 C31 C30 . . . . -38.1(3) ?
    C28 Fe3 C31 C30 . . . . -81.9(3) ?
    C32 Fe3 C31 C30 . . . . -119.5(4) ?
    C25 Fe3 C31 C30 . . . . 73.2(4) ?
    C26 Fe3 C31 C30 . . . . 114.7(3) ?
    C27 Fe3 C31 C30 . . . . 157.7(3) ?
    C30 C31 C32 C28 . . . . 0.3(5) ?
    Fe3 C31 C32 C28 . . . . -59.3(3) ?
    C30 C31 C32 Fe3 . . . . 59.5(3) ?
    C29 C28 C32 C31 . . . . -0.5(5) ?
    Fe3 C28 C32 C31 . . . . 59.2(3) ?
    C29 C28 C32 Fe3 . . . . -59.7(3) ?
    C24 Fe3 C32 C31 . . . . -162.1(4) ?
    C23 Fe3 C32 C31 . . . . 160.0(3) ?
    C30 Fe3 C32 C31 . . . . -37.7(3) ?
    C29 Fe3 C32 C31 . . . . -81.6(3) ?
    C28 Fe3 C32 C31 . . . . -119.3(4) ?
    C25 Fe3 C32 C31 . . . . 37.9(7) ?
    C26 Fe3 C32 C31 . . . . 74.2(3) ?
    C27 Fe3 C32 C31 . . . . 116.1(3) ?
    C24 Fe3 C32 C28 . . . . -42.7(5) ?
    C31 Fe3 C32 C28 . . . . 119.3(4) ?
    C23 Fe3 C32 C28 . . . . -80.7(3) ?
    C30 Fe3 C32 C28 . . . . 81.6(3) ?
    C29 Fe3 C32 C28 . . . . 37.8(3) ?
    C25 Fe3 C32 C28 . . . . 157.2(5) ?
    C26 Fe3 C32 C28 . . . . -166.5(3) ?
    C27 Fe3 C32 C28 . . . . -124.6(3) ?
    Mn1 O6 C33 O5 . . . . -9.3(6) ?
    Mn1 O6 C33 C23 . . . . 169.7(2) ?
    Mn2 O5 C33 O6 . . . . -136.9(4) ?
    Mn2 O5 C33 C23 . . . . 44.1(7) ?
    C24 C23 C33 O6 . . . . 11.1(6) ?
    C27 C23 C33 O6 . . . . -171.8(3) ?
    Fe3 C23 C33 O6 . . . . 99.2(4) ?
    C24 C23 C33 O5 . . . . -169.8(3) ?
    C27 C23 C33 O5 . . . . 7.3(6) ?
    Fe3 C23 C33 O5 . . . . -81.8(4) ?
    O4 Mn2 O3 C22 2_667 . . . 57.6(3) ?
    O5 Mn2 O3 C22 . . . . 148.0(3) ?
    O1 Mn2 O3 C22 . . . . -98.1(3) ?
    O2 Mn2 O3 C22 . . . . -56.8(3) ?
    C11 Mn2 O3 C22 . . . . -73.1(3) ?
    C16 Fe2 C12 C13 . . . . -118.3(4) ?
    C15 Fe2 C12 C13 . . . . -80.0(3) ?
    C17 Fe2 C12 C13 . . . . 123.1(3) ?
    C20 Fe2 C12 C13 . . . . -161.0(6) ?
    C21 Fe2 C12 C13 . . . . 165.2(3) ?
    C14 Fe2 C12 C13 . . . . -36.8(3) ?
    C19 Fe2 C12 C13 . . . . 50.2(8) ?
    C18 Fe2 C12 C13 . . . . 81.7(4) ?
    C15 Fe2 C12 C16 . . . . 38.4(3) ?
    C17 Fe2 C12 C16 . . . . -118.6(3) ?
    C20 Fe2 C12 C16 . . . . -42.7(7) ?
    C21 Fe2 C12 C16 . . . . -76.5(4) ?
    C14 Fe2 C12 C16 . . . . 81.5(3) ?
    C13 Fe2 C12 C16 . . . . 118.3(4) ?
    C19 Fe2 C12 C16 . . . . 168.5(7) ?
    C18 Fe2 C12 C16 . . . . -159.9(3) ?
    C16 Fe2 C12 C22 . . . . 121.2(4) ?
    C15 Fe2 C12 C22 . . . . 159.6(4) ?
    C17 Fe2 C12 C22 . . . . 2.6(4) ?
    C20 Fe2 C12 C22 . . . . 78.5(7) ?
    C21 Fe2 C12 C22 . . . . 44.7(4) ?
    C14 Fe2 C12 C22 . . . . -157.3(4) ?
    C13 Fe2 C12 C22 . . . . -120.5(4) ?
    C19 Fe2 C12 C22 . . . . -70.3(8) ?
    C18 Fe2 C12 C22 . . . . -38.7(4) ?
    C16 C12 C13 C14 . . . . -0.4(6) ?
    C22 C12 C13 C14 . . . . 177.3(4) ?
    Fe2 C12 C13 C14 . . . . 58.9(4) ?
    C16 C12 C13 Fe2 . . . . -59.3(3) ?
    C22 C12 C13 Fe2 . . . . 118.4(4) ?
    C16 Fe2 C13 C14 . . . . -81.7(3) ?
    C15 Fe2 C13 C14 . . . . -37.5(3) ?
    C17 Fe2 C13 C14 . . . . 162.9(3) ?
    C20 Fe2 C13 C14 . . . . 37.8(8) ?
    C21 Fe2 C13 C14 . . . . -158.0(6) ?
    C12 Fe2 C13 C14 . . . . -120.1(4) ?
    C19 Fe2 C13 C14 . . . . 76.9(4) ?
    C18 Fe2 C13 C14 . . . . 120.0(4) ?
    C16 Fe2 C13 C12 . . . . 38.4(2) ?
    C15 Fe2 C13 C12 . . . . 82.6(3) ?
    C17 Fe2 C13 C12 . . . . -76.9(3) ?
    C20 Fe2 C13 C12 . . . . 157.9(6) ?
    C21 Fe2 C13 C12 . . . . -37.9(8) ?
    C14 Fe2 C13 C12 . . . . 120.1(4) ?
    C19 Fe2 C13 C12 . . . . -163.0(3) ?
    C18 Fe2 C13 C12 . . . . -119.8(3) ?
    C12 C13 C14 C15 . . . . 0.8(6) ?
    Fe2 C13 C14 C15 . . . . 59.5(4) ?
    C12 C13 C14 Fe2 . . . . -58.7(3) ?
    C16 Fe2 C14 C15 . . . . -37.3(3) ?
    C17 Fe2 C14 C15 . . . . -166.0(6) ?
    C20 Fe2 C14 C15 . . . . 75.5(4) ?
    C21 Fe2 C14 C15 . . . . 40.5(7) ?
    C12 Fe2 C14 C15 . . . . -81.5(3) ?
    C13 Fe2 C14 C15 . . . . -119.0(4) ?
    C19 Fe2 C14 C15 . . . . 117.5(4) ?
    C18 Fe2 C14 C15 . . . . 159.9(3) ?
    C16 Fe2 C14 C13 . . . . 81.7(3) ?
    C15 Fe2 C14 C13 . . . . 119.0(4) ?
    C17 Fe2 C14 C13 . . . . -47.0(8) ?
    C20 Fe2 C14 C13 . . . . -165.5(3) ?
    C21 Fe2 C14 C13 . . . . 159.5(5) ?
    C12 Fe2 C14 C13 . . . . 37.4(3) ?
    C19 Fe2 C14 C13 . . . . -123.6(3) ?
    C18 Fe2 C14 C13 . . . . -81.1(4) ?
    C13 C14 C15 C16 . . . . -1.0(7) ?
    Fe2 C14 C15 C16 . . . . 58.9(4) ?
    C13 C14 C15 Fe2 . . . . -59.8(4) ?
    C16 Fe2 C15 C14 . . . . 120.5(5) ?
    C17 Fe2 C15 C14 . . . . 167.7(5) ?
    C20 Fe2 C15 C14 . . . . -122.1(3) ?
    C21 Fe2 C15 C14 . . . . -163.3(3) ?
    C12 Fe2 C15 C14 . . . . 81.9(3) ?
    C13 Fe2 C15 C14 . . . . 37.7(3) ?
    C19 Fe2 C15 C14 . . . . -81.9(4) ?
    C18 Fe2 C15 C14 . . . . -52.0(8) ?
    C17 Fe2 C15 C16 . . . . 47.2(7) ?
    C20 Fe2 C15 C16 . . . . 117.4(3) ?
    C21 Fe2 C15 C16 . . . . 76.2(4) ?
    C12 Fe2 C15 C16 . . . . -38.6(3) ?
    C14 Fe2 C15 C16 . . . . -120.5(5) ?
    C13 Fe2 C15 C16 . . . . -82.8(3) ?
    C19 Fe2 C15 C16 . . . . 157.6(3) ?
    C18 Fe2 C15 C16 . . . . -172.4(6) ?
    C14 C15 C16 C12 . . . . 0.7(7) ?
    Fe2 C15 C16 C12 . . . . 60.1(3) ?
    C14 C15 C16 Fe2 . . . . -59.4(4) ?
    C13 C12 C16 C15 . . . . -0.2(6) ?
    C22 C12 C16 C15 . . . . -177.9(4) ?
    Fe2 C12 C16 C15 . . . . -59.9(4) ?
    C13 C12 C16 Fe2 . . . . 59.7(3) ?
    C22 C12 C16 Fe2 . . . . -117.9(4) ?
    C17 Fe2 C16 C15 . . . . -161.1(4) ?
    C20 Fe2 C16 C15 . . . . -80.0(4) ?
    C21 Fe2 C16 C15 . . . . -121.0(4) ?
    C12 Fe2 C16 C15 . . . . 118.0(4) ?
    C14 Fe2 C16 C15 . . . . 36.5(3) ?
    C13 Fe2 C16 C15 . . . . 79.8(3) ?
    C19 Fe2 C16 C15 . . . . -53.2(7) ?
    C18 Fe2 C16 C15 . . . . 172.2(6) ?
    C15 Fe2 C16 C12 . . . . -118.0(4) ?
    C17 Fe2 C16 C12 . . . . 80.9(3) ?
    C20 Fe2 C16 C12 . . . . 161.9(3) ?
    C21 Fe2 C16 C12 . . . . 120.9(3) ?
    C14 Fe2 C16 C12 . . . . -81.5(3) ?
    C13 Fe2 C16 C12 . . . . -38.2(3) ?
    C19 Fe2 C16 C12 . . . . -171.2(5) ?
    C18 Fe2 C16 C12 . . . . 54.2(7) ?
    C16 Fe2 C17 C21 . . . . 74.5(4) ?
    C15 Fe2 C17 C21 . . . . 39.8(7) ?
    C20 Fe2 C17 C21 . . . . -37.8(3) ?
    C12 Fe2 C17 C21 . . . . 117.6(3) ?
    C14 Fe2 C17 C21 . . . . -164.9(6) ?
    C13 Fe2 C17 C21 . . . . 159.8(3) ?
    C19 Fe2 C17 C21 . . . . -81.0(3) ?
    C18 Fe2 C17 C21 . . . . -119.5(5) ?
    C16 Fe2 C17 C18 . . . . -166.0(3) ?
    C15 Fe2 C17 C18 . . . . 159.3(5) ?
    C20 Fe2 C17 C18 . . . . 81.7(4) ?
    C21 Fe2 C17 C18 . . . . 119.5(5) ?
    C12 Fe2 C17 C18 . . . . -122.9(3) ?
    C14 Fe2 C17 C18 . . . . -45.4(8) ?
    C13 Fe2 C17 C18 . . . . -80.7(4) ?
    C19 Fe2 C17 C18 . . . . 38.5(3) ?
    C21 C17 C18 C19 . . . . 0.0(7) ?
    Fe2 C17 C18 C19 . . . . -59.9(4) ?
    C21 C17 C18 Fe2 . . . . 59.9(4) ?
    C16 Fe2 C18 C17 . . . . 36.1(8) ?
    C15 Fe2 C18 C17 . . . . -158.3(6) ?
    C20 Fe2 C18 C17 . . . . -81.0(4) ?
    C21 Fe2 C18 C17 . . . . -37.3(3) ?
    C12 Fe2 C18 C17 . . . . 76.6(4) ?
    C14 Fe2 C18 C17 . . . . 163.5(3) ?
    C13 Fe2 C18 C17 . . . . 120.5(3) ?
    C19 Fe2 C18 C17 . . . . -117.7(5) ?
    C16 Fe2 C18 C19 . . . . 153.8(6) ?
    C15 Fe2 C18 C19 . . . . -40.6(8) ?
    C17 Fe2 C18 C19 . . . . 117.7(5) ?
    C20 Fe2 C18 C19 . . . . 36.7(3) ?
    C21 Fe2 C18 C19 . . . . 80.4(4) ?
    C12 Fe2 C18 C19 . . . . -165.6(3) ?
    C14 Fe2 C18 C19 . . . . -78.8(4) ?
    C13 Fe2 C18 C19 . . . . -121.8(3) ?
    C17 C18 C19 C20 . . . . 0.7(7) ?
    Fe2 C18 C19 C20 . . . . -58.8(5) ?
    C17 C18 C19 Fe2 . . . . 59.5(4) ?
    C16 Fe2 C19 C20 . . . . -37.7(8) ?
    C15 Fe2 C19 C20 . . . . -76.0(5) ?
    C17 Fe2 C19 C20 . . . . 81.7(4) ?
    C21 Fe2 C19 C20 . . . . 38.1(4) ?
    C12 Fe2 C19 C20 . . . . 161.3(6) ?
    C14 Fe2 C19 C20 . . . . -118.4(4) ?
    C13 Fe2 C19 C20 . . . . -160.2(4) ?
    C18 Fe2 C19 C20 . . . . 119.9(6) ?
    C16 Fe2 C19 C18 . . . . -157.6(5) ?
    C15 Fe2 C19 C18 . . . . 164.1(4) ?
    C17 Fe2 C19 C18 . . . . -38.2(4) ?
    C20 Fe2 C19 C18 . . . . -119.9(6) ?
    C21 Fe2 C19 C18 . . . . -81.9(4) ?
    C12 Fe2 C19 C18 . . . . 41.3(9) ?
    C14 Fe2 C19 C18 . . . . 121.6(4) ?
    C13 Fe2 C19 C18 . . . . 79.8(4) ?
    C18 C19 C20 C21 . . . . -1.2(8) ?
    Fe2 C19 C20 C21 . . . . -60.3(4) ?
    C18 C19 C20 Fe2 . . . . 59.1(5) ?
    C16 Fe2 C20 C19 . . . . 163.5(4) ?
    C15 Fe2 C20 C19 . . . . 121.3(4) ?
    C17 Fe2 C20 C19 . . . . -80.9(4) ?
    C21 Fe2 C20 C19 . . . . -118.6(6) ?
    C12 Fe2 C20 C19 . . . . -165.6(5) ?
    C14 Fe2 C20 C19 . . . . 80.9(5) ?
    C13 Fe2 C20 C19 . . . . 52.9(9) ?
    C18 Fe2 C20 C19 . . . . -37.4(4) ?
    C16 Fe2 C20 C21 . . . . -77.9(4) ?
    C15 Fe2 C20 C21 . . . . -120.1(4) ?
    C17 Fe2 C20 C21 . . . . 37.6(4) ?
    C12 Fe2 C20 C21 . . . . -47.0(8) ?
    C14 Fe2 C20 C21 . . . . -160.5(4) ?
    C13 Fe2 C20 C21 . . . . 171.4(6) ?
    C19 Fe2 C20 C21 . . . . 118.6(6) ?
    C18 Fe2 C20 C21 . . . . 81.2(4) ?
    C18 C17 C21 C20 . . . . -0.8(7) ?
    Fe2 C17 C21 C20 . . . . 59.7(4) ?
    C18 C17 C21 Fe2 . . . . -60.4(4) ?
    C19 C20 C21 C17 . . . . 1.2(7) ?
    Fe2 C20 C21 C17 . . . . -59.7(4) ?
    C19 C20 C21 Fe2 . . . . 60.9(5) ?
    C16 Fe2 C21 C17 . . . . -122.5(3) ?
    C15 Fe2 C21 C17 . . . . -163.7(3) ?
    C20 Fe2 C21 C17 . . . . 118.8(5) ?
    C12 Fe2 C21 C17 . . . . -81.1(4) ?
    C14 Fe2 C21 C17 . . . . 166.9(5) ?
    C13 Fe2 C21 C17 . . . . -52.9(8) ?
    C19 Fe2 C21 C17 . . . . 81.3(4) ?
    C18 Fe2 C21 C17 . . . . 37.3(3) ?
    C16 Fe2 C21 C20 . . . . 118.7(4) ?
    C15 Fe2 C21 C20 . . . . 77.5(4) ?
    C17 Fe2 C21 C20 . . . . -118.8(5) ?
    C12 Fe2 C21 C20 . . . . 160.1(3) ?
    C14 Fe2 C21 C20 . . . . 48.1(8) ?
    C13 Fe2 C21 C20 . . . . -171.7(6) ?
    C19 Fe2 C21 C20 . . . . -37.5(4) ?
    C18 Fe2 C21 C20 . . . . -81.5(4) ?
    Mn2 O4 C22 O3 2_667 . . . -72.9(6) ?
    Mn2 O4 C22 C12 2_667 . . . 107.9(5) ?
    Mn2 O3 C22 O4 . . . . -15.9(5) ?
    Mn2 O3 C22 C12 . . . . 163.3(3) ?
    C13 C12 C22 O4 . . . . 7.1(6) ?
    C16 C12 C22 O4 . . . . -175.6(4) ?
    Fe2 C12 C22 O4 . . . . 96.0(4) ?
    C13 C12 C22 O3 . . . . -172.1(4) ?
    C16 C12 C22 O3 . . . . 5.2(7) ?
    Fe2 C12 C22 O3 . . . . -83.2(4) ?
    O6 Mn1 N1 C38 . . . . -130.6(3) ?
    O6 Mn1 N1 C38 2_767 . . . 49.4(3) ?
    O1W Mn1 N1 C38 . . . . 133.3(4) ?
    O1W Mn1 N1 C38 2_767 . . . -46.7(4) ?
    N1 Mn1 N1 C38 2_767 . . .  14E1(10)
                                       ?
    O6 Mn1 N1 C34 . . . . 33.2(4) ?
    O6 Mn1 N1 C34 2_767 . . . -146.8(4) ?
    O1W Mn1 N1 C34 . . . . -62.9(4) ?
    O1W Mn1 N1 C34 2_767 . . . 117.1(4) ?
    N1 Mn1 N1 C34 2_767 . . .  -6E1(10)
                                       ?
    C38 N1 C34 C35 . . . . 1.1(7) ?
    Mn1 N1 C34 C35 . . . . -163.0(4) ?
    N1 C34 C35 C36 . . . . 0.0(8) ?
    C34 C35 C36 C37 . . . . -0.7(7) ?
    C34 C35 C36 C36 . . . 2_777 177.2(5) ?
    C35 C36 C37 C38 . . . . 0.2(7) ?
    C36 C36 C37 C38 2_777 . . . -177.7(5) ?
    C34 N1 C38 C37 . . . . -1.6(7) ?
    Mn1 N1 C38 C37 . . . . 163.5(4) ?
    C36 C37 C38 N1 . . . . 1.0(8) ?
    O4 Mn2 O1 C11 2_667 . . . -107.5(2) ?
    O5 Mn2 O1 C11 . . . . 163.0(2) ?
    O3 Mn2 O1 C11 . . . . 50.4(3) ?
    O2 Mn2 O1 C11 . . . . -0.2(2) ?
    O4 Mn2 O2 C11 2_667 . . . 91.0(3) ?
    O5 Mn2 O2 C11 . . . . -40.1(4) ?
    O3 Mn2 O2 C11 . . . . -149.3(3) ?
    O1 Mn2 O2 C11 . . . . 0.2(2) ?
    C6 Fe1 C1 C2 . . . . 117.7(3) ?
    C7 Fe1 C1 C2 . . . . 76.9(4) ?
    C8 Fe1 C1 C2 . . . . 51.6(8) ?
    C10 Fe1 C1 C2 . . . . 158.8(3) ?
    C3 Fe1 C1 C2 . . . . -37.7(3) ?
    C4 Fe1 C1 C2 . . . . -81.0(3) ?
    C5 Fe1 C1 C2 . . . . -118.0(4) ?
    C9 Fe1 C1 C2 . . . . -171.8(5) ?
    C6 Fe1 C1 C5 . . . . -124.3(3) ?
    C7 Fe1 C1 C5 . . . . -165.1(3) ?
    C8 Fe1 C1 C5 . . . . 169.6(7) ?
    C2 Fe1 C1 C5 . . . . 118.0(4) ?
    C10 Fe1 C1 C5 . . . . -83.2(3) ?
    C3 Fe1 C1 C5 . . . . 80.3(3) ?
    C4 Fe1 C1 C5 . . . . 37.0(3) ?
    C9 Fe1 C1 C5 . . . . -53.8(6) ?
    C6 Fe1 C1 C11 . . . . -3.4(4) ?
    C7 Fe1 C1 C11 . . . . -44.2(4) ?
    C8 Fe1 C1 C11 . . . . -69.6(8) ?
    C2 Fe1 C1 C11 . . . . -121.1(4) ?
    C10 Fe1 C1 C11 . . . . 37.7(4) ?
    C3 Fe1 C1 C11 . . . . -158.8(4) ?
    C4 Fe1 C1 C11 . . . . 157.9(4) ?
    C5 Fe1 C1 C11 . . . . 120.9(4) ?
    C9 Fe1 C1 C11 . . . . 67.1(6) ?
    C5 C1 C2 C3 . . . . -0.8(5) ?
    C11 C1 C2 C3 . . . . 172.9(4) ?
    Fe1 C1 C2 C3 . . . . 59.7(4) ?
    C5 C1 C2 Fe1 . . . . -60.5(3) ?
    C11 C1 C2 Fe1 . . . . 113.2(4) ?
    C6 Fe1 C2 C3 . . . . 161.2(4) ?
    C7 Fe1 C2 C3 . . . . 118.4(4) ?
    C1 Fe1 C2 C3 . . . . -118.8(4) ?
    C8 Fe1 C2 C3 . . . . 77.6(4) ?
    C10 Fe1 C2 C3 . . . . -166.7(5) ?
    C4 Fe1 C2 C3 . . . . -37.0(3) ?
    C5 Fe1 C2 C3 . . . . -80.4(3) ?
    C9 Fe1 C2 C3 . . . . 47.8(9) ?
    C6 Fe1 C2 C1 . . . . -80.0(3) ?
    C7 Fe1 C2 C1 . . . . -122.8(4) ?
    C8 Fe1 C2 C1 . . . . -163.6(3) ?
    C10 Fe1 C2 C1 . . . . -47.9(6) ?
    C3 Fe1 C2 C1 . . . . 118.8(4) ?
    C4 Fe1 C2 C1 . . . . 81.9(3) ?
    C5 Fe1 C2 C1 . . . . 38.5(3) ?
    C9 Fe1 C2 C1 . . . . 166.6(8) ?
    C1 C2 C3 C4 . . . . 0.1(6) ?
    Fe1 C2 C3 C4 . . . . 59.3(4) ?
    C1 C2 C3 Fe1 . . . . -59.2(3) ?
    C6 Fe1 C3 C4 . . . . -163.6(5) ?
    C7 Fe1 C3 C4 . . . . 159.7(4) ?
    C1 Fe1 C3 C4 . . . . -81.8(3) ?
    C8 Fe1 C3 C4 . . . . 116.0(4) ?
    C2 Fe1 C3 C4 . . . . -120.0(5) ?
    C10 Fe1 C3 C4 . . . . 40.5(9) ?
    C5 Fe1 C3 C4 . . . . -37.5(3) ?
    C9 Fe1 C3 C4 . . . . 74.7(4) ?
    C6 Fe1 C3 C2 . . . . -43.6(7) ?
    C7 Fe1 C3 C2 . . . . -80.3(4) ?
    C1 Fe1 C3 C2 . . . . 38.2(3) ?
    C8 Fe1 C3 C2 . . . . -123.9(4) ?
    C10 Fe1 C3 C2 . . . . 160.5(7) ?
    C4 Fe1 C3 C2 . . . . 120.0(5) ?
    C5 Fe1 C3 C2 . . . . 82.6(3) ?
    C9 Fe1 C3 C2 . . . . -165.3(3) ?
    C2 C3 C4 C5 . . . . 0.6(6) ?
    Fe1 C3 C4 C5 . . . . 59.6(4) ?
    C2 C3 C4 Fe1 . . . . -59.0(4) ?
    C6 Fe1 C4 C3 . . . . 158.8(6) ?
    C7 Fe1 C4 C3 . . . . -47.6(8) ?
    C1 Fe1 C4 C3 . . . . 81.6(3) ?
    C8 Fe1 C4 C3 . . . . -83.9(4) ?
    C2 Fe1 C4 C3 . . . . 37.3(3) ?
    C10 Fe1 C4 C3 . . . . -166.4(3) ?
    C5 Fe1 C4 C3 . . . . 119.3(5) ?
    C9 Fe1 C4 C3 . . . . -126.1(4) ?
    C6 Fe1 C4 C5 . . . . 39.5(8) ?
    C7 Fe1 C4 C5 . . . . -166.9(6) ?
    C1 Fe1 C4 C5 . . . . -37.7(3) ?
    C8 Fe1 C4 C5 . . . . 156.7(4) ?
    C2 Fe1 C4 C5 . . . . -82.1(3) ?
    C10 Fe1 C4 C5 . . . . 74.2(4) ?
    C3 Fe1 C4 C5 . . . . -119.3(5) ?
    C9 Fe1 C4 C5 . . . . 114.6(4) ?
    C3 C4 C5 C1 . . . . -1.1(6) ?
    Fe1 C4 C5 C1 . . . . 58.4(3) ?
    C3 C4 C5 Fe1 . . . . -59.5(4) ?
    C2 C1 C5 C4 . . . . 1.2(5) ?
    C11 C1 C5 C4 . . . . -172.6(4) ?
    Fe1 C1 C5 C4 . . . . -59.0(4) ?
    C2 C1 C5 Fe1 . . . . 60.1(3) ?
    C11 C1 C5 Fe1 . . . . -113.6(4) ?
    C6 Fe1 C5 C4 . . . . -165.9(3) ?
    C7 Fe1 C5 C4 . . . . 163.0(7) ?
    C1 Fe1 C5 C4 . . . . 119.8(4) ?
    C8 Fe1 C5 C4 . . . . -53.1(7) ?
    C2 Fe1 C5 C4 . . . . 81.2(3) ?
    C10 Fe1 C5 C4 . . . . -125.1(4) ?
    C3 Fe1 C5 C4 . . . . 37.4(3) ?
    C9 Fe1 C5 C4 . . . . -84.5(4) ?
    C6 Fe1 C5 C1 . . . . 74.3(3) ?
    C7 Fe1 C5 C1 . . . . 43.2(8) ?
    C8 Fe1 C5 C1 . . . . -172.9(5) ?
    C2 Fe1 C5 C1 . . . . -38.6(3) ?
    C10 Fe1 C5 C1 . . . . 115.1(3) ?
    C3 Fe1 C5 C1 . . . . -82.4(3) ?
    C4 Fe1 C5 C1 . . . . -119.8(4) ?
    C9 Fe1 C5 C1 . . . . 155.7(3) ?
    C7 Fe1 C6 C10 . . . . -118.2(5) ?
    C1 Fe1 C6 C10 . . . . 117.0(4) ?
    C8 Fe1 C6 C10 . . . . -79.5(4) ?
    C2 Fe1 C6 C10 . . . . 159.5(3) ?
    C3 Fe1 C6 C10 . . . . -169.3(5) ?
    C4 Fe1 C6 C10 . . . . 46.0(8) ?
    C5 Fe1 C6 C10 . . . . 75.9(4) ?
    C9 Fe1 C6 C10 . . . . -36.2(4) ?
    C1 Fe1 C6 C7 . . . . -124.7(4) ?
    C8 Fe1 C6 C7 . . . . 38.8(4) ?
    C2 Fe1 C6 C7 . . . . -82.3(4) ?
    C10 Fe1 C6 C7 . . . . 118.2(5) ?
    C3 Fe1 C6 C7 . . . . -51.0(7) ?
    C4 Fe1 C6 C7 . . . . 164.2(7) ?
    C5 Fe1 C6 C7 . . . . -165.9(4) ?
    C9 Fe1 C6 C7 . . . . 82.0(4) ?
    C10 C6 C7 C8 . . . . 0.2(6) ?
    Fe1 C6 C7 C8 . . . . -60.9(4) ?
    C10 C6 C7 Fe1 . . . . 61.1(4) ?
    C6 Fe1 C7 C8 . . . . 117.1(5) ?
    C1 Fe1 C7 C8 . . . . -169.1(4) ?
    C2 Fe1 C7 C8 . . . . -126.8(4) ?
    C10 Fe1 C7 C8 . . . . 79.4(4) ?
    C3 Fe1 C7 C8 . . . . -84.6(4) ?
    C4 Fe1 C7 C8 . . . . -50.5(8) ?
    C5 Fe1 C7 C8 . . . . 157.7(6) ?
    C9 Fe1 C7 C8 . . . . 37.1(4) ?
    C1 Fe1 C7 C6 . . . . 73.8(4) ?
    C8 Fe1 C7 C6 . . . . -117.1(5) ?
    C2 Fe1 C7 C6 . . . . 116.1(3) ?
    C10 Fe1 C7 C6 . . . . -37.7(3) ?
    C3 Fe1 C7 C6 . . . . 158.3(3) ?
    C4 Fe1 C7 C6 . . . . -167.6(5) ?
    C5 Fe1 C7 C6 . . . . 40.7(9) ?
    C9 Fe1 C7 C6 . . . . -80.0(4) ?
    C6 C7 C8 C9 . . . . 0.0(7) ?
    Fe1 C7 C8 C9 . . . . -60.4(4) ?
    C6 C7 C8 Fe1 . . . . 60.4(4) ?
    C6 Fe1 C8 C9 . . . . 80.2(4) ?
    C7 Fe1 C8 C9 . . . . 119.2(6) ?
    C1 Fe1 C8 C9 . . . . 151.9(7) ?
    C2 Fe1 C8 C9 . . . . -167.9(3) ?
    C10 Fe1 C8 C9 . . . . 36.7(4) ?
    C3 Fe1 C8 C9 . . . . -125.3(4) ?
    C4 Fe1 C8 C9 . . . . -82.1(4) ?
    C5 Fe1 C8 C9 . . . . -44.6(7) ?
    C6 Fe1 C8 C7 . . . . -39.0(4) ?
    C1 Fe1 C8 C7 . . . . 32.7(10) ?
    C2 Fe1 C8 C7 . . . . 73.0(4) ?
    C10 Fe1 C8 C7 . . . . -82.4(4) ?
    C3 Fe1 C8 C7 . . . . 115.5(4) ?
    C4 Fe1 C8 C7 . . . . 158.7(4) ?
    C5 Fe1 C8 C7 . . . . -163.8(5) ?
    C9 Fe1 C8 C7 . . . . -119.2(6) ?
    C7 C8 C9 C10 . . . . -0.2(7) ?
    Fe1 C8 C9 C10 . . . . -59.5(4) ?
    C7 C8 C9 Fe1 . . . . 59.3(4) ?
    C6 Fe1 C9 C10 . . . . 37.1(4) ?
    C7 Fe1 C9 C10 . . . . 81.5(4) ?
    C1 Fe1 C9 C10 . . . . -42.7(7) ?
    C8 Fe1 C9 C10 . . . . 119.4(6) ?
    C2 Fe1 C9 C10 . . . . 157.6(7) ?
    C3 Fe1 C9 C10 . . . . -164.9(4) ?
    C4 Fe1 C9 C10 . . . . -123.6(4) ?
    C5 Fe1 C9 C10 . . . . -80.6(4) ?
    C6 Fe1 C9 C8 . . . . -82.3(4) ?
    C7 Fe1 C9 C8 . . . . -37.9(4) ?
    C1 Fe1 C9 C8 . . . . -162.0(4) ?
    C2 Fe1 C9 C8 . . . . 38.2(10) ?
    C10 Fe1 C9 C8 . . . . -119.4(6) ?
    C3 Fe1 C9 C8 . . . . 75.8(5) ?
    C4 Fe1 C9 C8 . . . . 117.1(4) ?
    C5 Fe1 C9 C8 . . . . 160.1(4) ?
    C8 C9 C10 C6 . . . . 0.3(7) ?
    Fe1 C9 C10 C6 . . . . -58.8(4) ?
    C8 C9 C10 Fe1 . . . . 59.1(4) ?
    C7 C6 C10 C9 . . . . -0.3(7) ?
    Fe1 C6 C10 C9 . . . . 60.0(4) ?
    C7 C6 C10 Fe1 . . . . -60.3(4) ?
    C6 Fe1 C10 C9 . . . . -120.2(6) ?
    C7 Fe1 C10 C9 . . . . -81.7(4) ?
    C1 Fe1 C10 C9 . . . . 160.0(4) ?
    C8 Fe1 C10 C9 . . . . -37.4(4) ?
    C2 Fe1 C10 C9 . . . . -165.9(5) ?
    C3 Fe1 C10 C9 . . . . 44.9(10) ?
    C4 Fe1 C10 C9 . . . . 76.1(5) ?
    C5 Fe1 C10 C9 . . . . 116.8(4) ?
    C7 Fe1 C10 C6 . . . . 38.5(4) ?
    C1 Fe1 C10 C6 . . . . -79.8(4) ?
    C8 Fe1 C10 C6 . . . . 82.8(4) ?
    C2 Fe1 C10 C6 . . . . -45.7(7) ?
    C3 Fe1 C10 C6 . . . . 165.1(7) ?
    C4 Fe1 C10 C6 . . . . -163.7(4) ?
    C5 Fe1 C10 C6 . . . . -123.0(4) ?
    C9 Fe1 C10 C6 . . . . 120.2(6) ?
    Mn2 O1 C11 O2 . . . . 0.3(4) ?
    Mn2 O1 C11 C1 . . . . -178.7(3) ?
    Mn2 O2 C11 O1 . . . . -0.3(4) ?
    Mn2 O2 C11 C1 . . . . 178.7(4) ?
    C2 C1 C11 O1 . . . . -1.9(7) ?
    C5 C1 C11 O1 . . . . 170.7(4) ?
    Fe1 C1 C11 O1 . . . . 84.2(4) ?
    C2 C1 C11 O2 . . . . 179.1(4) ?
    C5 C1 C11 O2 . . . . -8.3(7) ?
    Fe1 C1 C11 O2 . . . . -94.8(4) ?
    C2 C1 C11 Mn2 . . . . -27(7) ?
    C5 C1 C11 Mn2 . . . . 145(7) ?
    Fe1 C1 C11 Mn2 . . . . 59(7) ?
    O4 Mn2 C11 O1 2_667 . . . 80.1(3) ?
    O5 Mn2 C11 O1 . . . . -21.5(3) ?
    O3 Mn2 C11 O1 . . . . -145.4(2) ?
    O2 Mn2 C11 O1 . . . . 179.7(4) ?
    O4 Mn2 C11 O2 2_667 . . . -99.5(3) ?
    O5 Mn2 C11 O2 . . . . 158.8(2) ?
    O3 Mn2 C11 O2 . . . . 34.9(3) ?
    O1 Mn2 C11 O2 . . . . -179.7(4) ?
    O4 Mn2 C11 C1 2_667 . . . 106(7) ?
    O5 Mn2 C11 C1 . . . . 5(7) ?
    O3 Mn2 C11 C1 . . . . -119(7) ?
    O1 Mn2 C11 C1 . . . . 26(7) ?
    O2 Mn2 C11 C1 . . . . -154(7) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1W H1WA O2 2_667 0.76(3) 2.14(3) 2.884(5) 164(6)
    O1W H1WB O4 2_667 0.76(3) 2.26(4) 2.878(4) 139(6)
