##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, 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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##############################################################################
                                             
data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2005-10-13
_journal_date_accepted     2005-11-07
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue     12
_journal_page_first     m2575
_journal_page_last     m2577
_journal_paper_category     EM
_journal_coeditor_code     HG6258
_publ_contact_author_name     'Prof. Qi-Hua Zhao'
_publ_contact_author_address
;
Department of Chemistry,
Center for Advanced Studies of Medicinal
and Organic Chemistry,
Yunnan University
Kunming 650091
P. R. China
;
_publ_contact_author_email     qhzhao@ynu.edu.cn
_publ_contact_author_fax     '86-871-5035640'
_publ_contact_author_phone     '86-871-5035640'
_publ_section_title
;
2-(2-Pyridyl)pyridinium
bis(pyridine-2,6-dicarboxylato-κ²O²,O⁶)iron(III)
trihydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhao Qi-Hua'
;
Department of Chemistry
Center for Advanced Studies of Medicinal and Organic Chemistry
Yunnan University
Kunming 650091
People's Republic of China
;
    'Zhang, Mei-Su'
;
Department of Chemistry
Center for Advanced Studies of Medicinal and Organic Chemistry
Yunnan University
Kunming 650091
People's Republic of China
;
    'Fang, Rui-Bing'
;
Department of Chemistry
Center for Advanced Studies of Medicinal and Organic Chemistry
Yunnan University
Kunming 650091
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ²O²,O⁶)iron(III)
trihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H9 N2 +, C14 H6 Fe N2 O8 -, 3H2 O'
_chemical_formula_sum     'C24 H21 Fe N4 O11'
_chemical_formula_iupac     '(C10 H9 N2) [Fe (C7 H3 N1 O4)2], 3H2 O'
_chemical_formula_weight     597.30
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.4528(19)
_cell_length_b     10.840(2)
_cell_length_c     13.178(3)
_cell_angle_alpha     104.62(3)
_cell_angle_beta     99.57(3)
_cell_angle_gamma     97.02(3)
_cell_volume     1269.3(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     1694
_cell_measurement_theta_min     2.18
_cell_measurement_theta_max     28.22
_cell_measurement_temperature     289(2)
_exptl_crystal_description     block
_exptl_crystal_colour     green
_exptl_crystal_size_max     0.19
_exptl_crystal_size_mid     0.16
_exptl_crystal_size_min     0.14
_exptl_crystal_density_diffrn     1.563
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     614
_exptl_absorpt_coefficient_mu     0.664
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1998)'
_exptl_absorpt_correction_T_min     0.8842
_exptl_absorpt_correction_T_max     0.9128
_exptl_special_details
;
;
_diffrn_ambient_temperature     289(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'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     15248
_diffrn_reflns_av_R_equivalents     0.0181
_diffrn_reflns_av_sigmaI/netI     0.0191
_diffrn_reflns_theta_min     2.18
_diffrn_reflns_theta_max     28.23
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.972
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_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_%     0
_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     6109
_reflns_number_gt     5427
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0331
_refine_ls_R_factor_gt     0.0294
_refine_ls_wR_factor_gt     0.0868
_refine_ls_wR_factor_ref     0.0892
_refine_ls_goodness_of_fit_ref     1.054
_refine_ls_restrained_S_all     1.054
_refine_ls_number_reflns     6109
_refine_ls_number_parameters     446
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     refall
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0557P)²+0.1599P] 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     0.003
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.299
_refine_diff_density_min     -0.285
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.042(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    '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_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
    _atom_site_type_symbol
    Fe1 1.21159(2) 1.012510(17) 0.276042(13) 0.03895(8) Uani d . 1 . . Fe
    C1 1.10970(14) 0.89091(13) 0.04497(10) 0.0404(3) Uani d . 1 . . C
    C2 1.10646(18) 0.86523(16) -0.06389(11) 0.0512(3) Uani d . 1 . . C
    H13 1.025(2) 0.8003(17) -0.1145(15) 0.055(5) Uiso d . 1 . . H
    C3 1.2132(2) 0.93735(18) -0.09575(13) 0.0579(4) Uani d . 1 . . C
    H16 1.214(2) 0.9295(19) -0.1634(16) 0.061(5) Uiso d . 1 . . H
    C4 1.31930(19) 1.03177(17) -0.02112(13) 0.0540(4) Uani d . 1 . . C
    H15 1.392(2) 1.0823(18) -0.0411(15) 0.059(5) Uiso d . 1 . . H
    C5 1.31569(15) 1.05072(13) 0.08602(11) 0.0430(3) Uani d . 1 . . C
    C6 1.00540(15) 0.82893(13) 0.10014(11) 0.0437(3) Uani d . 1 . . C
    C7 1.41809(16) 1.14479(14) 0.18294(13) 0.0496(3) Uani d . 1 . . C
    C8 1.28169(13) 0.96779(12) 0.48805(11) 0.0381(3) Uani d . 1 . . C
    C9 1.28659(17) 0.98559(16) 0.59655(12) 0.0492(3) Uani d . 1 . . C
    H9 1.345(2) 0.946(2) 0.6310(17) 0.069(6) Uiso d . 1 . . H
    C10 1.20997(19) 1.07602(16) 0.64695(12) 0.0533(4) Uani d . 1 . . C
    H23 1.214(2) 1.088(2) 0.7161(19) 0.075(6) Uiso d . 1 . . H
    C11 1.13078(16) 1.14499(14) 0.58981(12) 0.0476(3) Uani d . 1 . . C
    H3 1.077(2) 1.2127(19) 0.6215(16) 0.062(5) Uiso d . 1 . . H
    C12 1.13216(13) 1.12264(11) 0.48240(10) 0.0364(2) Uani d . 1 . . C
    C13 1.35535(15) 0.87677(13) 0.41572(12) 0.0450(3) Uani d . 1 . . C
    C14 1.05822(14) 1.18649(12) 0.40357(12) 0.0418(3) Uani d . 1 . . C
    C15 0.74181(14) 1.51557(12) 0.55089(12) 0.0413(3) Uani d . 1 . . C
    C16 0.65395(14) 1.59761(13) 0.51764(14) 0.0469(3) Uani d . 1 . . C
    H14 0.6135(19) 1.6575(17) 0.5703(14) 0.056(5) Uiso d . 1 . . H
    C17 0.63148(16) 1.60073(14) 0.41259(15) 0.0517(3) Uani d . 1 . . C
    H12 0.572(2) 1.6543(19) 0.3915(16) 0.064(5) Uiso d . 1 . . H
    C18 0.69487(19) 1.52254(16) 0.33987(15) 0.0574(4) Uani d . 1 . . C
    H2 0.682(2) 1.5261(19) 0.2675(17) 0.072(6) Uiso d . 1 . . H
    C19 0.78036(19) 1.44211(16) 0.37424(14) 0.0549(4) Uani d . 1 . . C
    H11 0.826(2) 1.384(2) 0.3259(18) 0.076(6) Uiso d . 1 . . H
    C20 0.9213(3) 1.4181(2) 0.77323(17) 0.0728(5) Uani d . 1 . . C
    H8 1.003(3) 1.375(2) 0.7816(19) 0.082(7) Uiso d . 1 . . H
    C21 0.8512(3) 1.4641(2) 0.85575(17) 0.0788(6) Uani d . 1 . . C
    H22 0.885(2) 1.453(2) 0.928(2) 0.084(7) Uiso d . 1 . . H
    C22 0.7418(3) 1.5316(2) 0.83785(16) 0.0756(6) Uani d . 1 . . C
    H1 0.696(3) 1.567(3) 0.892(2) 0.101(8) Uiso d . 1 . . H
    C23 0.7039(2) 1.55318(17) 0.73884(14) 0.0598(4) Uani d . 1 . . C
    H7 0.629(2) 1.6003(19) 0.7242(16) 0.063(5) Uiso d . 1 . . H
    C24 0.77842(15) 1.50220(13) 0.65973(12) 0.0463(3) Uani d . 1 . . C
    O1 0.90329(13) 0.74476(12) 0.04758(10) 0.0654(3) Uani d . 1 . . O
    O2 1.03544(11) 0.87399(10) 0.20259(8) 0.0475(2) Uani d . 1 . . O
    O3 1.52052(15) 1.21704(13) 0.17306(12) 0.0750(4) Uani d . 1 . . O
    O4 1.38381(12) 1.13941(10) 0.27249(9) 0.0535(3) Uani d . 1 . . O
    O5 1.42644(15) 0.80468(13) 0.45041(12) 0.0715(4) Uani d . 1 . . O
    O6 1.33437(12) 0.88697(10) 0.31892(8) 0.0503(2) Uani d . 1 . . O
    O7 0.98110(13) 1.26553(11) 0.43196(11) 0.0626(3) Uani d . 1 . . O
    O8 1.08591(12) 1.14980(10) 0.30978(8) 0.0486(2) Uani d . 1 . . O
    O9 1.3130(2) 1.38080(18) 0.87714(16) 0.0854(5) Uani d D 1 . . O
    H17 1.252(2) 1.346(2) 0.8957(19) 0.076(7) Uiso d D 1 . . H
    O10 0.6738(2) 1.35037(19) 1.04958(16) 0.0976(5) Uani d . 1 . . O
    H18 0.584(2) 1.3777(19) 1.0375(15) 0.055(5) Uiso d . 1 . . H
    H6 0.608(3) 1.308(3) 1.087(2) 0.120(10) Uiso d . 1 . . H
    O11 0.5145(2) 1.2095(2) 0.84814(18) 0.0889(5) Uani d . 1 . . O
    H4 0.550(3) 1.198(3) 0.797(2) 0.101(9) Uiso d . 1 . . H
    H26 0.578(3) 1.248(3) 0.897(2) 0.096(10) Uiso d . 1 . . H
    N1 1.21225(12) 0.98084(10) 0.11519(9) 0.0384(2) Uani d . 1 . . N
    N2 1.20706(10) 1.03623(9) 0.43515(8) 0.0334(2) Uani d . 1 . . N
    N3 0.80041(13) 1.44057(11) 0.47627(11) 0.0454(3) Uani d . 1 . . N
    H10 0.854(2) 1.3940(19) 0.4920(16) 0.060(5) Uiso d . 1 . . H
    N4 0.88636(16) 1.43551(14) 0.67615(12) 0.0586(3) Uani d . 1 . . N
    H5 1.377(3) 1.347(4) 0.882(3) 0.151(16) Uiso d D 1 . . H
_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
    Fe1 O4 . 2.0139(12) Y
    Fe1 O6 . 2.0185(11) Y
    Fe1 O2 . 2.0209(13) Y
    Fe1 O8 . 2.0243(12) Y
    Fe1 N2 . 2.0553(11) Y
    Fe1 N1 . 2.0612(12) Y
    C1 N1 . 1.3274(18) ?
    C1 C2 . 1.3849(19) ?
    C1 C6 . 1.508(2) ?
    C2 C3 . 1.385(2) ?
    C2 H13 . 0.996(18) ?
    C3 C4 . 1.391(3) ?
    C3 H16 . 0.88(2) ?
    C4 C5 . 1.381(2) ?
    C4 H15 . 0.939(19) ?
    C5 N1 . 1.3299(17) ?
    C5 C7 . 1.516(2) ?
    C6 O1 . 1.2196(18) ?
    C6 O2 . 1.2837(17) ?
    C7 O3 . 1.2148(19) ?
    C7 O4 . 1.2877(19) ?
    C8 N2 . 1.3265(17) ?
    C8 C9 . 1.386(2) ?
    C8 C13 . 1.5101(19) ?
    C9 C10 . 1.390(2) ?
    C9 H9 . 0.88(2) ?
    C10 C11 . 1.386(3) ?
    C10 H23 . 0.88(2) ?
    C11 C12 . 1.3770(19) ?
    C11 H3 . 0.99(2) ?
    C12 N2 . 1.3344(16) ?
    C12 C14 . 1.512(2) ?
    C13 O5 . 1.2156(18) ?
    C13 O6 . 1.2928(19) ?
    C14 O7 1 1.2194(17) ?
    C14 O7 . 1.2194(17) ?
    C14 O8 . 1.2803(18) ?
    C15 N3 . 1.3499(18) Y
    C15 C16 . 1.389(2) ?
    C15 C24 . 1.466(2) ?
    C16 C17 . 1.375(2) ?
    C16 H14 . 0.985(19) ?
    C17 C18 . 1.379(3) ?
    C17 H12 . 0.92(2) ?
    C18 C19 . 1.367(2) ?
    C18 H2 . 0.95(2) ?
    C19 N3 . 1.331(2) Y
    C19 H11 . 0.97(2) ?
    C20 N4 . 1.334(2) Y
    C20 C21 . 1.385(3) ?
    C20 H8 . 0.96(2) ?
    C21 C22 . 1.361(4) ?
    C21 H22 . 1.00(2) ?
    C22 C23 . 1.380(3) ?
    C22 H1 . 0.92(3) ?
    C23 C24 . 1.392(2) ?
    C23 H7 . 0.95(2) ?
    C24 N4 . 1.340(2) Y
    O9 H17 . 0.757(19) ?
    O9 H5 . 0.749(19) ?
    O10 H18 . 0.93(2) ?
    O10 H6 . 0.99(3) ?
    O11 H4 . 0.79(3) ?
    O11 H26 . 0.79(3) ?
    N3 H10 . 0.80(2) Y
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
    O4 Fe1 O6 . . 94.09(5) Y
    O4 Fe1 O2 . . 151.76(4) Y
    O6 Fe1 O2 . . 93.87(5) Y
    O4 Fe1 O8 . . 93.80(5) Y
    O6 Fe1 O8 . . 151.63(4) Y
    O2 Fe1 O8 . . 91.94(5) Y
    O4 Fe1 N2 . . 106.14(5) Y
    O6 Fe1 N2 . . 75.70(5) Y
    O2 Fe1 N2 . . 102.08(5) Y
    O8 Fe1 N2 . . 75.93(5) Y
    O4 Fe1 N1 . . 75.92(6) Y
    O6 Fe1 N1 . . 103.12(5) Y
    O2 Fe1 N1 . . 75.89(5) Y
    O8 Fe1 N1 . . 105.23(5) Y
    N2 Fe1 N1 . . 177.64(4) Y
    N1 C1 C2 . . 120.69(14) ?
    N1 C1 C6 . . 111.34(11) ?
    C2 C1 C6 . . 127.97(14) ?
    C1 C2 C3 . . 117.40(15) ?
    C1 C2 H13 . . 118.6(11) ?
    C3 C2 H13 . . 124.0(10) ?
    C2 C3 C4 . . 121.16(14) ?
    C2 C3 H16 . . 122.0(13) ?
    C4 C3 H16 . . 116.7(13) ?
    C5 C4 C3 . . 117.88(15) ?
    C5 C4 H15 . . 119.6(12) ?
    C3 C4 H15 . . 122.5(11) ?
    N1 C5 C4 . . 120.17(14) ?
    N1 C5 C7 . . 111.10(12) ?
    C4 C5 C7 . . 128.73(14) ?
    O1 C6 O2 . . 126.00(14) ?
    O1 C6 C1 . . 120.19(13) ?
    O2 C6 C1 . . 113.81(12) ?
    O3 C7 O4 . . 125.44(16) ?
    O3 C7 C5 . . 121.16(15) ?
    O4 C7 C5 . . 113.40(12) ?
    N2 C8 C9 . . 120.56(13) ?
    N2 C8 C13 . . 111.47(11) ?
    C9 C8 C13 . . 127.96(13) ?
    C8 C9 C10 . . 117.78(15) ?
    C8 C9 H9 . . 118.5(14) ?
    C10 C9 H9 . . 123.4(14) ?
    C11 C10 C9 . . 120.72(14) ?
    C11 C10 H23 . . 121.6(15) ?
    C9 C10 H23 . . 117.7(15) ?
    C12 C11 C10 . . 118.08(13) ?
    C12 C11 H3 . . 117.3(11) ?
    C10 C11 H3 . . 124.6(11) ?
    N2 C12 C11 . . 120.60(13) ?
    N2 C12 C14 . . 111.00(11) ?
    C11 C12 C14 . . 128.39(12) ?
    O5 C13 O6 . . 126.63(14) ?
    O5 C13 C8 . . 120.45(14) ?
    O6 C13 C8 . . 112.92(11) ?
    O7 C14 O8 1 . 126.02(14) ?
    O7 C14 O8 . . 126.02(14) ?
    O7 C14 C12 1 . 120.14(14) ?
    O7 C14 C12 . . 120.14(14) ?
    O8 C14 C12 . . 113.85(11) ?
    N3 C15 C16 . . 117.28(14) ?
    N3 C15 C24 . . 116.20(12) ?
    C16 C15 C24 . . 126.52(13) ?
    C17 C16 C15 . . 119.75(14) ?
    C17 C16 H14 . . 120.2(10) ?
    C15 C16 H14 . . 119.9(11) ?
    C16 C17 C18 . . 120.51(14) ?
    C16 C17 H12 . . 118.7(13) ?
    C18 C17 H12 . . 120.8(13) ?
    C19 C18 C17 . . 118.75(16) ?
    C19 C18 H2 . . 120.2(13) ?
    C17 C18 H2 . . 121.0(13) ?
    N3 C19 C18 . . 119.70(15) ?
    N3 C19 H11 . . 118.6(13) ?
    C18 C19 H11 . . 121.7(13) ?
    N4 C20 C21 . . 123.3(2) ?
    N4 C20 H8 . . 113.4(14) ?
    C21 C20 H8 . . 123.2(14) ?
    C22 C21 C20 . . 118.8(2) ?
    C22 C21 H22 . . 121.0(14) ?
    C20 C21 H22 . . 120.1(14) ?
    C21 C22 C23 . . 119.6(2) ?
    C21 C22 H1 . . 121.0(17) ?
    C23 C22 H1 . . 119.3(17) ?
    C22 C23 C24 . . 118.11(19) ?
    C22 C23 H7 . . 121.5(13) ?
    C24 C23 H7 . . 120.4(12) ?
    N4 C24 C23 . . 122.98(16) ?
    N4 C24 C15 . . 115.00(14) ?
    C23 C24 C15 . . 122.00(15) ?
    C6 O2 Fe1 . . 120.37(9) ?
    C7 O4 Fe1 . . 120.83(10) ?
    C13 O6 Fe1 . . 120.88(9) ?
    C14 O8 Fe1 . . 120.42(9) ?
    H17 O9 H5 . . 109(3) ?
    H18 O10 H6 . . 71.7(19) ?
    H4 O11 H26 . . 106(3) ?
    C1 N1 C5 . . 122.70(12) ?
    C1 N1 Fe1 . . 118.56(9) ?
    C5 N1 Fe1 . . 118.74(10) ?
    C8 N2 C12 . . 122.25(11) ?
    C8 N2 Fe1 . . 118.98(8) ?
    C12 N2 Fe1 . . 118.75(9) ?
    C19 N3 C15 . . 124.00(13) ?
    C19 N3 H10 . . 114.9(15) Y
    C15 N3 H10 . . 121.0(15) Y
    C20 N4 C24 . . 117.24(17) Y
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
    C4 H15 O11 1_654 0.939(19) 2.56(2) 3.457(3) 159.4(15)
    O10 H6 O3 1_456 0.99(3) 1.91(3) 2.880(2) 167(3)
    C17 H12 O5 1_465 0.92(2) 2.32(2) 3.115(2) 144.0(17)
    N3 H10 O7 1 0.80(2) 2.04(2) 2.7246(17) 143.3(19)
    O9 H5 O11 1_655 0.749(19) 2.11(2) 2.823(3) 161(4)
