##############################################################################
###                                                                        ###
###        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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#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
1-(chloridomercurio)ferrocene
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H9 Cl Fe Hg'
_chemical_formula_sum     'C10 H9 Cl Fe Hg'
_chemical_formula_iupac     '[Fe Hg Cl (C5 H4) (C5 H5)]'
_chemical_formula_weight     421.06
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     24.618(11)
_cell_length_b     5.997(3)
_cell_length_c     14.136(7)
_cell_angle_alpha     90.00
_cell_angle_beta     106.288(6)
_cell_angle_gamma     90.00
_cell_volume     2003.2(16)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     5313
_cell_measurement_theta_min     2.85
_cell_measurement_theta_max     30.61
_cell_measurement_temperature     100(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     orange
_exptl_crystal_size_max     0.60
_exptl_crystal_size_mid     0.50
_exptl_crystal_size_min     0.03
_exptl_crystal_density_diffrn     2.792
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1536
_exptl_absorpt_coefficient_mu     16.968
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_correction_T_min     0.0350
_exptl_absorpt_correction_T_max     0.6300
_exptl_special_details
;
;
_diffrn_ambient_temperature     100(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 APEXII CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     21721
_diffrn_reflns_av_R_equivalents     0.0556
_diffrn_reflns_av_sigmaI/netI     0.0460
_diffrn_reflns_theta_min     3.37
_diffrn_reflns_theta_max     27.00
_diffrn_reflns_theta_full     27.00
_diffrn_measured_fraction_theta_max     0.971
_diffrn_measured_fraction_theta_full     0.971
_diffrn_reflns_limit_h_min     -31
_diffrn_reflns_limit_h_max     31
_diffrn_reflns_limit_k_min     -7
_diffrn_reflns_limit_k_max     7
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_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     4251
_reflns_number_gt     3739
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0516
_refine_ls_R_factor_gt     0.0468
_refine_ls_wR_factor_gt     0.1055
_refine_ls_wR_factor_ref     0.1081
_refine_ls_goodness_of_fit_ref     1.002
_refine_ls_restrained_S_all     1.002
_refine_ls_number_reflns     4251
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
               'calc w=1/[σ²(Fo²)+(0.01P)²+40P] 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     1.859
_refine_diff_density_min     -1.161
_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'
    'Cl' 'Cl' 0.1484 0.1585
                         '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'
    'Hg' 'Hg' -2.3894 9.2266
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2001)'
_computing_data_reduction     'SAINT-Plus'
_computing_structure_solution     'SHELXTL-NT (Sheldrick, 2001)'
_computing_structure_refinement     'SHELXTL-NT'
_computing_molecular_graphics     'SHELXTL-NT'
_computing_publication_material     'SHELXTL-NT'
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
    Hg Hg1A 0.060744(17) 0.48445(7) 0.26780(3) 0.04197(13) Uani d . 1 . .
    Hg Hg1B 0.489733(18) 0.69185(7) 0.64542(3) 0.04753(14) Uani d . 1 . .
    Cl Cl1A -0.02395(12) 0.4903(4) 0.3126(2) 0.0474(6) Uani d . 1 . .
    Cl Cl1B 0.54847(13) 0.7119(5) 0.8071(2) 0.0556(7) Uani d . 1 . .
    Fe Fe1A 0.14441(6) 0.4464(3) 0.09187(10) 0.0430(3) Uani d . 1 . .
    Fe Fe1B 0.35517(7) 0.7474(3) 0.45616(11) 0.0462(4) Uani d . 1 . .
    C C1A 0.1342(5) 0.5051(19) 0.2287(8) 0.047(2) Uani d . 1 . .
    C C2A 0.1757(5) 0.327(2) 0.2334(7) 0.049(3) Uani d . 1 . .
    H H2AA 0.1732 0.1701 0.2558 0.059 Uiso calc R 1 . .
    C C3A 0.2194(5) 0.419(2) 0.1980(8) 0.054(3) Uani d . 1 . .
    H H3AA 0.2533 0.3353 0.1909 0.065 Uiso calc R 1 . .
    C C4A 0.2074(5) 0.647(2) 0.1733(8) 0.054(3) Uani d . 1 . .
    H H4AA 0.2312 0.7517 0.1467 0.064 Uiso calc R 1 . .
    C C5A 0.1555(5) 0.701(2) 0.1935(8) 0.052(3) Uani d . 1 . .
    H H5AA 0.1361 0.8492 0.1820 0.062 Uiso calc R 1 . .
    C C6A 0.0701(5) 0.330(2) 0.0006(8) 0.055(3) Uani d . 1 . .
    H H6AA 0.0355 0.2914 0.0209 0.066 Uiso calc R 1 . .
    C C7A 0.1153(7) 0.181(2) 0.0008(8) 0.072(4) Uani d . 1 . .
    H H7AA 0.1178 0.0204 0.0207 0.086 Uiso calc R 1 . .
    C C8A 0.1559(6) 0.301(2) -0.0316(8) 0.060(3) Uani d . 1 . .
    H H8AA 0.1923 0.2400 -0.0389 0.072 Uiso calc R 1 . .
    C C9A 0.1357(5) 0.523(2) -0.0532(8) 0.056(3) Uani d . 1 . .
    H H9AA 0.1554 0.6459 -0.0780 0.068 Uiso calc R 1 . .
    C C10A 0.0820(5) 0.538(2) -0.0334(8) 0.053(3) Uani d . 1 . .
    H H10A 0.0576 0.6740 -0.0411 0.064 Uiso calc R 1 . .
    C C1B 0.4392(4) 0.6817(19) 0.5013(8) 0.045(2) Uani d . 1 . .
    C C2B 0.4100(4) 0.4923(19) 0.4539(9) 0.048(2) Uani d . 1 . .
    H H2BA 0.4098 0.3417 0.4842 0.058 Uiso calc R 1 . .
    C C3B 0.3799(5) 0.554(2) 0.3554(8) 0.055(3) Uani d . 1 . .
    H H3BA 0.3551 0.4547 0.3042 0.066 Uiso calc R 1 . .
    C C4B 0.3927(6) 0.782(3) 0.3438(9) 0.063(3) Uani d . 1 . .
    H H4BA 0.3773 0.8727 0.2827 0.076 Uiso calc R 1 . .
    C C5B 0.4295(5) 0.863(2) 0.4338(8) 0.051(3) Uani d . 1 . .
    H H5BA 0.4453 1.0176 0.4470 0.061 Uiso calc R 1 . .
    C C6B 0.3299(5) 0.860(2) 0.5742(10) 0.060(3) Uani d . 1 . .
    H H6BA 0.3554 0.8980 0.6408 0.072 Uiso calc R 1 . .
    C C7B 0.3055(5) 0.646(2) 0.5436(9) 0.060(3) Uani d . 1 . .
    H H7BA 0.3104 0.5075 0.5846 0.072 Uiso calc R 1 . .
    C C8B 0.2719(5) 0.670(2) 0.4422(10) 0.062(3) Uani d . 1 . .
    H H8BA 0.2500 0.5480 0.4002 0.075 Uiso calc R 1 . .
    C C9B 0.2759(5) 0.892(3) 0.4114(10) 0.065(3) Uani d . 1 . .
    H H9BA 0.2572 0.9549 0.3446 0.077 Uiso calc R 1 . .
    C C10B 0.3119(7) 1.011(2) 0.4929(11) 0.068(4) Uani d . 1 . .
    H H10C 0.3227 1.1719 0.4929 0.082 Uiso calc R 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
    Hg1A C1A . 2.038(10) ?
    Hg1A Cl1A . 2.343(3) ?
    Hg1B C1B . 2.068(11) ?
    Hg1B Cl1B . 2.340(3) ?
    Fe1A C3A . 2.033(11) ?
    Fe1A C8A . 2.041(11) ?
    Fe1A C6A . 2.043(11) ?
    Fe1A C4A . 2.045(11) ?
    Fe1A C7A . 2.046(13) ?
    Fe1A C1A . 2.049(10) ?
    Fe1A C9A . 2.053(11) ?
    Fe1A C2A . 2.060(11) ?
    Fe1A C5A . 2.061(11) ?
    Fe1A C10A . 2.067(12) ?
    Fe1B C1B . 2.026(11) ?
    Fe1B C2B . 2.046(11) ?
    Fe1B C6B . 2.053(12) ?
    Fe1B C10B . 2.054(13) ?
    Fe1B C8B . 2.057(13) ?
    Fe1B C3B . 2.058(11) ?
    Fe1B C4B . 2.059(11) ?
    Fe1B C7B . 2.059(12) ?
    Fe1B C5B . 2.062(11) ?
    Fe1B C9B . 2.068(13) ?
    C1A C5A . 1.431(15) ?
    C1A C2A . 1.467(16) ?
    C2A C3A . 1.419(16) ?
    C2A H2AA . 1.0000 ?
    C3A C4A . 1.427(18) ?
    C3A H3AA . 1.0000 ?
    C4A C5A . 1.422(16) ?
    C4A H4AA . 1.0000 ?
    C5A H5AA . 1.0000 ?
    C6A C10A . 1.397(18) ?
    C6A C7A . 1.43(2) ?
    C6A H6AA . 1.0000 ?
    C7A C8A . 1.41(2) ?
    C7A H7AA . 1.0000 ?
    C8A C9A . 1.426(18) ?
    C8A H8AA . 1.0000 ?
    C9A C10A . 1.428(16) ?
    C9A H9AA . 1.0000 ?
    C10A H10A . 1.0000 ?
    C1B C2B . 1.410(15) ?
    C1B C5B . 1.424(16) ?
    C2B C3B . 1.430(17) ?
    C2B H2BA . 1.0000 ?
    C3B C4B . 1.427(19) ?
    C3B H3BA . 1.0000 ?
    C4B C5B . 1.424(18) ?
    C4B H4BA . 1.0000 ?
    C5B H5BA . 1.0000 ?
    C6B C10B . 1.43(2) ?
    C6B C7B . 1.434(19) ?
    C6B H6BA . 1.0000 ?
    C7B C8B . 1.447(19) ?
    C7B H7BA . 1.0000 ?
    C8B C9B . 1.42(2) ?
    C8B H8BA . 1.0000 ?
    C9B C10B . 1.43(2) ?
    C9B H9BA . 1.0000 ?
    C10B H10C . 1.0000 ?
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
    C1A Hg1A Cl1A . . 175.7(3) ?
    C1B Hg1B Cl1B . . 178.3(3) ?
    C3A Fe1A C8A . . 106.3(5) ?
    C3A Fe1A C6A . . 154.8(6) ?
    C8A Fe1A C6A . . 68.2(5) ?
    C3A Fe1A C4A . . 41.0(5) ?
    C8A Fe1A C4A . . 118.0(5) ?
    C6A Fe1A C4A . . 163.8(6) ?
    C3A Fe1A C7A . . 119.0(6) ?
    C8A Fe1A C7A . . 40.3(6) ?
    C6A Fe1A C7A . . 40.8(6) ?
    C4A Fe1A C7A . . 152.8(6) ?
    C3A Fe1A C1A . . 69.2(4) ?
    C8A Fe1A C1A . . 164.5(5) ?
    C6A Fe1A C1A . . 109.3(5) ?
    C4A Fe1A C1A . . 69.0(4) ?
    C7A Fe1A C1A . . 127.8(5) ?
    C3A Fe1A C9A . . 125.1(5) ?
    C8A Fe1A C9A . . 40.8(5) ?
    C6A Fe1A C9A . . 67.7(5) ?
    C4A Fe1A C9A . . 106.3(5) ?
    C7A Fe1A C9A . . 68.0(5) ?
    C1A Fe1A C9A . . 153.9(5) ?
    C3A Fe1A C2A . . 40.6(5) ?
    C8A Fe1A C2A . . 125.3(5) ?
    C6A Fe1A C2A . . 121.3(5) ?
    C4A Fe1A C2A . . 68.9(5) ?
    C7A Fe1A C2A . . 108.0(5) ?
    C1A Fe1A C2A . . 41.8(4) ?
    C9A Fe1A C2A . . 162.5(5) ?
    C3A Fe1A C5A . . 68.4(5) ?
    C8A Fe1A C5A . . 152.9(5) ?
    C6A Fe1A C5A . . 127.8(5) ?
    C4A Fe1A C5A . . 40.5(5) ?
    C7A Fe1A C5A . . 165.7(6) ?
    C1A Fe1A C5A . . 40.7(4) ?
    C9A Fe1A C5A . . 119.1(5) ?
    C2A Fe1A C5A . . 68.9(5) ?
    C3A Fe1A C10A . . 163.1(5) ?
    C8A Fe1A C10A . . 68.3(5) ?
    C6A Fe1A C10A . . 39.7(5) ?
    C4A Fe1A C10A . . 126.1(5) ?
    C7A Fe1A C10A . . 67.9(5) ?
    C1A Fe1A C10A . . 120.3(5) ?
    C9A Fe1A C10A . . 40.6(5) ?
    C2A Fe1A C10A . . 155.5(5) ?
    C5A Fe1A C10A . . 108.7(5) ?
    C1B Fe1B C2B . . 40.5(4) ?
    C1B Fe1B C6B . . 108.9(5) ?
    C2B Fe1B C6B . . 127.7(5) ?
    C1B Fe1B C10B . . 128.8(5) ?
    C2B Fe1B C10B . . 166.2(6) ?
    C6B Fe1B C10B . . 40.8(6) ?
    C1B Fe1B C8B . . 152.7(5) ?
    C2B Fe1B C8B . . 118.3(5) ?
    C6B Fe1B C8B . . 68.3(5) ?
    C10B Fe1B C8B . . 67.9(6) ?
    C1B Fe1B C3B . . 68.5(5) ?
    C2B Fe1B C3B . . 40.8(5) ?
    C6B Fe1B C3B . . 164.8(6) ?
    C10B Fe1B C3B . . 152.2(6) ?
    C8B Fe1B C3B . . 106.7(5) ?
    C1B Fe1B C4B . . 67.9(5) ?
    C2B Fe1B C4B . . 67.9(5) ?
    C6B Fe1B C4B . . 153.8(6) ?
    C10B Fe1B C4B . . 119.6(6) ?
    C8B Fe1B C4B . . 126.9(6) ?
    C3B Fe1B C4B . . 40.5(5) ?
    C1B Fe1B C7B . . 118.6(5) ?
    C2B Fe1B C7B . . 107.1(5) ?
    C6B Fe1B C7B . . 40.8(5) ?
    C10B Fe1B C7B . . 68.8(6) ?
    C8B Fe1B C7B . . 41.2(5) ?
    C3B Fe1B C7B . . 126.1(5) ?
    C4B Fe1B C7B . . 164.4(6) ?
    C1B Fe1B C5B . . 40.8(4) ?
    C2B Fe1B C5B . . 68.5(5) ?
    C6B Fe1B C5B . . 119.8(5) ?
    C10B Fe1B C5B . . 108.9(5) ?
    C8B Fe1B C5B . . 164.7(5) ?
    C3B Fe1B C5B . . 68.7(5) ?
    C4B Fe1B C5B . . 40.4(5) ?
    C7B Fe1B C5B . . 153.2(5) ?
    C1B Fe1B C9B . . 166.3(5) ?
    C2B Fe1B C9B . . 151.6(6) ?
    C6B Fe1B C9B . . 68.5(6) ?
    C10B Fe1B C9B . . 40.6(6) ?
    C8B Fe1B C9B . . 40.1(6) ?
    C3B Fe1B C9B . . 117.6(5) ?
    C4B Fe1B C9B . . 108.1(5) ?
    C7B Fe1B C9B . . 68.9(6) ?
    C5B Fe1B C9B . . 127.8(5) ?
    C5A C1A C2A . . 107.2(9) ?
    C5A C1A Hg1A . . 125.7(8) ?
    C2A C1A Hg1A . . 127.1(8) ?
    C5A C1A Fe1A . . 70.1(6) ?
    C2A C1A Fe1A . . 69.5(6) ?
    Hg1A C1A Fe1A . . 126.8(6) ?
    C3A C2A C1A . . 106.8(10) ?
    C3A C2A Fe1A . . 68.7(6) ?
    C1A C2A Fe1A . . 68.7(6) ?
    C3A C2A H2AA . . 126.6 ?
    C1A C2A H2AA . . 126.6 ?
    Fe1A C2A H2AA . . 126.6 ?
    C2A C3A C4A . . 109.4(10) ?
    C2A C3A Fe1A . . 70.7(6) ?
    C4A C3A Fe1A . . 70.0(7) ?
    C2A C3A H3AA . . 125.3 ?
    C4A C3A H3AA . . 125.3 ?
    Fe1A C3A H3AA . . 125.3 ?
    C5A C4A C3A . . 107.7(10) ?
    C5A C4A Fe1A . . 70.3(6) ?
    C3A C4A Fe1A . . 69.1(6) ?
    C5A C4A H4AA . . 126.1 ?
    C3A C4A H4AA . . 126.1 ?
    Fe1A C4A H4AA . . 126.1 ?
    C4A C5A C1A . . 108.8(11) ?
    C4A C5A Fe1A . . 69.1(6) ?
    C1A C5A Fe1A . . 69.2(6) ?
    C4A C5A H5AA . . 125.6 ?
    C1A C5A H5AA . . 125.6 ?
    Fe1A C5A H5AA . . 125.6 ?
    C10A C6A C7A . . 108.8(11) ?
    C10A C6A Fe1A . . 71.0(7) ?
    C7A C6A Fe1A . . 69.7(7) ?
    C10A C6A H6AA . . 125.6 ?
    C7A C6A H6AA . . 125.6 ?
    Fe1A C6A H6AA . . 125.6 ?
    C8A C7A C6A . . 107.7(12) ?
    C8A C7A Fe1A . . 69.7(8) ?
    C6A C7A Fe1A . . 69.5(7) ?
    C8A C7A H7AA . . 126.1 ?
    C6A C7A H7AA . . 126.1 ?
    Fe1A C7A H7AA . . 126.1 ?
    C7A C8A C9A . . 108.0(12) ?
    C7A C8A Fe1A . . 70.0(7) ?
    C9A C8A Fe1A . . 70.1(7) ?
    C7A C8A H8AA . . 126.0 ?
    C9A C8A H8AA . . 126.0 ?
    Fe1A C8A H8AA . . 126.0 ?
    C8A C9A C10A . . 107.7(11) ?
    C8A C9A Fe1A . . 69.2(6) ?
    C10A C9A Fe1A . . 70.2(6) ?
    C8A C9A H9AA . . 126.1 ?
    C10A C9A H9AA . . 126.1 ?
    Fe1A C9A H9AA . . 126.1 ?
    C6A C10A C9A . . 107.8(11) ?
    C6A C10A Fe1A . . 69.2(7) ?
    C9A C10A Fe1A . . 69.2(7) ?
    C6A C10A H10A . . 126.1 ?
    C9A C10A H10A . . 126.1 ?
    Fe1A C10A H10A . . 126.1 ?
    C2B C1B C5B . . 109.3(10) ?
    C2B C1B Fe1B . . 70.5(6) ?
    C5B C1B Fe1B . . 71.0(6) ?
    C2B C1B Hg1B . . 125.3(8) ?
    C5B C1B Hg1B . . 125.4(8) ?
    Fe1B C1B Hg1B . . 125.7(5) ?
    C1B C2B C3B . . 108.2(11) ?
    C1B C2B Fe1B . . 69.0(6) ?
    C3B C2B Fe1B . . 70.1(6) ?
    C1B C2B H2BA . . 125.9 ?
    C3B C2B H2BA . . 125.9 ?
    Fe1B C2B H2BA . . 125.9 ?
    C4B C3B C2B . . 106.7(11) ?
    C4B C3B Fe1B . . 69.8(7) ?
    C2B C3B Fe1B . . 69.2(6) ?
    C4B C3B H3BA . . 126.6 ?
    C2B C3B H3BA . . 126.6 ?
    Fe1B C3B H3BA . . 126.6 ?
    C5B C4B C3B . . 109.4(11) ?
    C5B C4B Fe1B . . 69.9(6) ?
    C3B C4B Fe1B . . 69.7(6) ?
    C5B C4B H4BA . . 125.3 ?
    C3B C4B H4BA . . 125.3 ?
    Fe1B C4B H4BA . . 125.3 ?
    C4B C5B C1B . . 106.4(11) ?
    C4B C5B Fe1B . . 69.7(7) ?
    C1B C5B Fe1B . . 68.2(6) ?
    C4B C5B H5BA . . 126.8 ?
    C1B C5B H5BA . . 126.8 ?
    Fe1B C5B H5BA . . 126.8 ?
    C10B C6B C7B . . 108.4(12) ?
    C10B C6B Fe1B . . 69.6(7) ?
    C7B C6B Fe1B . . 69.8(7) ?
    C10B C6B H6BA . . 125.8 ?
    C7B C6B H6BA . . 125.8 ?
    Fe1B C6B H6BA . . 125.8 ?
    C6B C7B C8B . . 106.5(12) ?
    C6B C7B Fe1B . . 69.4(7) ?
    C8B C7B Fe1B . . 69.3(7) ?
    C6B C7B H7BA . . 126.8 ?
    C8B C7B H7BA . . 126.8 ?
    Fe1B C7B H7BA . . 126.8 ?
    C9B C8B C7B . . 109.2(12) ?
    C9B C8B Fe1B . . 70.3(7) ?
    C7B C8B Fe1B . . 69.5(7) ?
    C9B C8B H8BA . . 125.4 ?
    C7B C8B H8BA . . 125.4 ?
    Fe1B C8B H8BA . . 125.4 ?
    C8B C9B C10B . . 107.6(12) ?
    C8B C9B Fe1B . . 69.5(7) ?
    C10B C9B Fe1B . . 69.2(8) ?
    C8B C9B H9BA . . 126.2 ?
    C10B C9B H9BA . . 126.2 ?
    Fe1B C9B H9BA . . 126.2 ?
    C9B C10B C6B . . 108.3(12) ?
    C9B C10B Fe1B . . 70.2(7) ?
    C6B C10B Fe1B . . 69.6(7) ?
    C9B C10B H10C . . 125.8 ?
    C6B C10B H10C . . 125.8 ?
    Fe1B C10B H10C . . 125.8 ?
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
    C3A Fe1A C1A C5A . . . . 80.7(8) ?
    C8A Fe1A C1A C5A . . . . 156.3(18) ?
    C6A Fe1A C1A C5A . . . . -126.1(8) ?
    C4A Fe1A C1A C5A . . . . 36.7(7) ?
    C7A Fe1A C1A C5A . . . . -168.1(8) ?
    C9A Fe1A C1A C5A . . . . -47.6(14) ?
    C2A Fe1A C1A C5A . . . . 118.1(10) ?
    C10A Fe1A C1A C5A . . . . -83.8(8) ?
    C3A Fe1A C1A C2A . . . . -37.5(7) ?
    C6A Fe1A C1A C2A . . . . 115.7(7) ?
    C4A Fe1A C1A C2A . . . . -81.5(7) ?
    C7A Fe1A C1A C2A . . . . 73.7(9) ?
    C9A Fe1A C1A C2A . . . . -165.8(10) ?
    C5A Fe1A C1A C2A . . . . -118.1(10) ?
    C10A Fe1A C1A C2A . . . . 158.0(7) ?
    C3A Fe1A C1A Hg1A . . . . -159.1(9) ?
    C6A Fe1A C1A Hg1A . . . . -5.9(9) ?
    C4A Fe1A C1A Hg1A . . . . 156.9(9) ?
    C7A Fe1A C1A Hg1A . . . . -47.9(10) ?
    C9A Fe1A C1A Hg1A . . . . 72.6(13) ?
    C2A Fe1A C1A Hg1A . . . . -121.6(10) ?
    C5A Fe1A C1A Hg1A . . . . 120.2(10) ?
    C10A Fe1A C1A Hg1A . . . . 36.4(9) ?
    C5A C1A C2A C3A . . . . -1.9(12) ?
    Hg1A C1A C2A C3A . . . . 179.5(8) ?
    Fe1A C1A C2A C3A . . . . 58.3(7) ?
    C5A C1A C2A Fe1A . . . . -60.2(7) ?
    Hg1A C1A C2A Fe1A . . . . 121.2(9) ?
    C8A Fe1A C2A C3A . . . . 72.7(9) ?
    C6A Fe1A C2A C3A . . . . 156.7(8) ?
    C4A Fe1A C2A C3A . . . . -37.4(7) ?
    C7A Fe1A C2A C3A . . . . 113.8(8) ?
    C1A Fe1A C2A C3A . . . . -119.0(10) ?
    C9A Fe1A C2A C3A . . . . 39.9(19) ?
    C5A Fe1A C2A C3A . . . . -81.0(8) ?
    C10A Fe1A C2A C3A . . . . -170.1(11) ?
    C3A Fe1A C2A C1A . . . . 119.0(10) ?
    C8A Fe1A C2A C1A . . . . -168.3(7) ?
    C6A Fe1A C2A C1A . . . . -84.3(8) ?
    C4A Fe1A C2A C1A . . . . 81.6(7) ?
    C7A Fe1A C2A C1A . . . . -127.1(8) ?
    C9A Fe1A C2A C1A . . . . 159.0(15) ?
    C5A Fe1A C2A C1A . . . . 38.1(7) ?
    C10A Fe1A C2A C1A . . . . -51.1(14) ?
    C1A C2A C3A C4A . . . . 1.1(12) ?
    Fe1A C2A C3A C4A . . . . 59.5(8) ?
    C1A C2A C3A Fe1A . . . . -58.3(7) ?
    C8A Fe1A C3A C2A . . . . -125.7(7) ?
    C6A Fe1A C3A C2A . . . . -52.5(14) ?
    C4A Fe1A C3A C2A . . . . 120.2(10) ?
    C7A Fe1A C3A C2A . . . . -84.0(8) ?
    C1A Fe1A C3A C2A . . . . 38.6(7) ?
    C9A Fe1A C3A C2A . . . . -166.4(7) ?
    C5A Fe1A C3A C2A . . . . 82.4(7) ?
    C10A Fe1A C3A C2A . . . . 165.8(15) ?
    C8A Fe1A C3A C4A . . . . 114.1(7) ?
    C6A Fe1A C3A C4A . . . . -172.7(10) ?
    C7A Fe1A C3A C4A . . . . 155.8(7) ?
    C1A Fe1A C3A C4A . . . . -81.6(7) ?
    C9A Fe1A C3A C4A . . . . 73.5(8) ?
    C2A Fe1A C3A C4A . . . . -120.2(10) ?
    C5A Fe1A C3A C4A . . . . -37.7(6) ?
    C10A Fe1A C3A C4A . . . . 45.6(19) ?
    C2A C3A C4A C5A . . . . 0.1(13) ?
    Fe1A C3A C4A C5A . . . . 60.0(8) ?
    C2A C3A C4A Fe1A . . . . -59.9(8) ?
    C3A Fe1A C4A C5A . . . . -118.9(10) ?
    C8A Fe1A C4A C5A . . . . 158.4(7) ?
    C6A Fe1A C4A C5A . . . . 50.0(18) ?
    C7A Fe1A C4A C5A . . . . -170.5(10) ?
    C1A Fe1A C4A C5A . . . . -36.9(7) ?
    C9A Fe1A C4A C5A . . . . 116.0(7) ?
    C2A Fe1A C4A C5A . . . . -81.8(7) ?
    C10A Fe1A C4A C5A . . . . 76.0(8) ?
    C8A Fe1A C4A C3A . . . . -82.7(8) ?
    C6A Fe1A C4A C3A . . . . 168.9(14) ?
    C7A Fe1A C4A C3A . . . . -51.6(13) ?
    C1A Fe1A C4A C3A . . . . 82.0(7) ?
    C9A Fe1A C4A C3A . . . . -125.1(7) ?
    C2A Fe1A C4A C3A . . . . 37.0(6) ?
    C5A Fe1A C4A C3A . . . . 118.9(10) ?
    C10A Fe1A C4A C3A . . . . -165.1(6) ?
    C3A C4A C5A C1A . . . . -1.3(13) ?
    Fe1A C4A C5A C1A . . . . 57.9(8) ?
    C3A C4A C5A Fe1A . . . . -59.2(8) ?
    C2A C1A C5A C4A . . . . 1.9(12) ?
    Hg1A C1A C5A C4A . . . . -179.4(8) ?
    Fe1A C1A C5A C4A . . . . -57.9(8) ?
    C2A C1A C5A Fe1A . . . . 59.8(7) ?
    Hg1A C1A C5A Fe1A . . . . -121.6(9) ?
    C3A Fe1A C5A C4A . . . . 38.1(7) ?
    C8A Fe1A C5A C4A . . . . -45.5(14) ?
    C6A Fe1A C5A C4A . . . . -164.3(7) ?
    C7A Fe1A C5A C4A . . . . 162(2) ?
    C1A Fe1A C5A C4A . . . . 120.9(10) ?
    C9A Fe1A C5A C4A . . . . -81.0(8) ?
    C2A Fe1A C5A C4A . . . . 81.8(8) ?
    C10A Fe1A C5A C4A . . . . -124.2(7) ?
    C3A Fe1A C5A C1A . . . . -82.7(7) ?
    C8A Fe1A C5A C1A . . . . -166.3(10) ?
    C6A Fe1A C5A C1A . . . . 74.8(9) ?
    C4A Fe1A C5A C1A . . . . -120.9(10) ?
    C7A Fe1A C5A C1A . . . . 41(2) ?
    C9A Fe1A C5A C1A . . . . 158.1(7) ?
    C2A Fe1A C5A C1A . . . . -39.1(7) ?
    C10A Fe1A C5A C1A . . . . 115.0(7) ?
    C3A Fe1A C6A C10A . . . . -163.7(10) ?
    C8A Fe1A C6A C10A . . . . -81.8(8) ?
    C4A Fe1A C6A C10A . . . . 33.7(19) ?
    C7A Fe1A C6A C10A . . . . -119.3(10) ?
    C1A Fe1A C6A C10A . . . . 114.5(7) ?
    C9A Fe1A C6A C10A . . . . -37.7(7) ?
    C2A Fe1A C6A C10A . . . . 159.2(7) ?
    C5A Fe1A C6A C10A . . . . 72.7(8) ?
    C3A Fe1A C6A C7A . . . . -44.3(14) ?
    C8A Fe1A C6A C7A . . . . 37.5(7) ?
    C4A Fe1A C6A C7A . . . . 153.0(15) ?
    C1A Fe1A C6A C7A . . . . -126.1(7) ?
    C9A Fe1A C6A C7A . . . . 81.6(8) ?
    C2A Fe1A C6A C7A . . . . -81.5(8) ?
    C5A Fe1A C6A C7A . . . . -168.0(7) ?
    C10A Fe1A C6A C7A . . . . 119.3(10) ?
    C10A C6A C7A C8A . . . . 1.1(13) ?
    Fe1A C6A C7A C8A . . . . -59.4(9) ?
    C10A C6A C7A Fe1A . . . . 60.5(8) ?
    C3A Fe1A C7A C8A . . . . -80.9(9) ?
    C6A Fe1A C7A C8A . . . . 119.0(11) ?
    C4A Fe1A C7A C8A . . . . -44.9(14) ?
    C1A Fe1A C7A C8A . . . . -166.0(7) ?
    C9A Fe1A C7A C8A . . . . 38.1(8) ?
    C2A Fe1A C7A C8A . . . . -123.7(8) ?
    C5A Fe1A C7A C8A . . . . 160.9(19) ?
    C10A Fe1A C7A C8A . . . . 82.0(8) ?
    C3A Fe1A C7A C6A . . . . 160.1(7) ?
    C8A Fe1A C7A C6A . . . . -119.0(11) ?
    C4A Fe1A C7A C6A . . . . -163.9(10) ?
    C1A Fe1A C7A C6A . . . . 74.9(9) ?
    C9A Fe1A C7A C6A . . . . -80.9(8) ?
    C2A Fe1A C7A C6A . . . . 117.2(7) ?
    C5A Fe1A C7A C6A . . . . 42(2) ?
    C10A Fe1A C7A C6A . . . . -37.0(7) ?
    C6A C7A C8A C9A . . . . -0.7(13) ?
    Fe1A C7A C8A C9A . . . . -60.0(8) ?
    C6A C7A C8A Fe1A . . . . 59.3(8) ?
    C3A Fe1A C8A C7A . . . . 115.9(9) ?
    C6A Fe1A C8A C7A . . . . -38.0(8) ?
    C4A Fe1A C8A C7A . . . . 158.6(8) ?
    C1A Fe1A C8A C7A . . . . 45(2) ?
    C9A Fe1A C8A C7A . . . . -118.8(11) ?
    C2A Fe1A C8A C7A . . . . 75.6(10) ?
    C5A Fe1A C8A C7A . . . . -169.8(11) ?
    C10A Fe1A C8A C7A . . . . -81.0(9) ?
    C3A Fe1A C8A C9A . . . . -125.3(8) ?
    C6A Fe1A C8A C9A . . . . 80.8(8) ?
    C4A Fe1A C8A C9A . . . . -82.6(8) ?
    C7A Fe1A C8A C9A . . . . 118.8(11) ?
    C1A Fe1A C8A C9A . . . . 164.1(16) ?
    C2A Fe1A C8A C9A . . . . -165.6(7) ?
    C5A Fe1A C8A C9A . . . . -51.0(14) ?
    C10A Fe1A C8A C9A . . . . 37.8(7) ?
    C7A C8A C9A C10A . . . . 0.1(13) ?
    Fe1A C8A C9A C10A . . . . -59.9(8) ?
    C7A C8A C9A Fe1A . . . . 60.0(8) ?
    C3A Fe1A C9A C8A . . . . 73.2(9) ?
    C6A Fe1A C9A C8A . . . . -81.9(8) ?
    C4A Fe1A C9A C8A . . . . 114.1(8) ?
    C7A Fe1A C9A C8A . . . . -37.7(9) ?
    C1A Fe1A C9A C8A . . . . -170.4(10) ?
    C2A Fe1A C9A C8A . . . . 43(2) ?
    C5A Fe1A C9A C8A . . . . 156.1(8) ?
    C10A Fe1A C9A C8A . . . . -118.8(11) ?
    C3A Fe1A C9A C10A . . . . -168.0(8) ?
    C8A Fe1A C9A C10A . . . . 118.8(11) ?
    C6A Fe1A C9A C10A . . . . 36.9(8) ?
    C4A Fe1A C9A C10A . . . . -127.1(8) ?
    C7A Fe1A C9A C10A . . . . 81.2(9) ?
    C1A Fe1A C9A C10A . . . . -51.6(14) ?
    C2A Fe1A C9A C10A . . . . 161.4(15) ?
    C5A Fe1A C9A C10A . . . . -85.1(8) ?
    C7A C6A C10A C9A . . . . -1.1(13) ?
    Fe1A C6A C10A C9A . . . . 58.6(8) ?
    C7A C6A C10A Fe1A . . . . -59.7(8) ?
    C8A C9A C10A C6A . . . . 0.6(13) ?
    Fe1A C9A C10A C6A . . . . -58.6(8) ?
    C8A C9A C10A Fe1A . . . . 59.3(8) ?
    C3A Fe1A C10A C6A . . . . 155.6(16) ?
    C8A Fe1A C10A C6A . . . . 81.6(8) ?
    C4A Fe1A C10A C6A . . . . -168.9(7) ?
    C7A Fe1A C10A C6A . . . . 38.0(8) ?
    C1A Fe1A C10A C6A . . . . -84.0(8) ?
    C9A Fe1A C10A C6A . . . . 119.6(11) ?
    C2A Fe1A C10A C6A . . . . -47.0(15) ?
    C5A Fe1A C10A C6A . . . . -127.2(7) ?
    C3A Fe1A C10A C9A . . . . 36(2) ?
    C8A Fe1A C10A C9A . . . . -38.0(8) ?
    C6A Fe1A C10A C9A . . . . -119.6(11) ?
    C4A Fe1A C10A C9A . . . . 71.5(9) ?
    C7A Fe1A C10A C9A . . . . -81.6(9) ?
    C1A Fe1A C10A C9A . . . . 156.5(7) ?
    C2A Fe1A C10A C9A . . . . -166.6(11) ?
    C5A Fe1A C10A C9A . . . . 113.2(8) ?
    C6B Fe1B C1B C2B . . . . 126.5(7) ?
    C10B Fe1B C1B C2B . . . . 167.7(8) ?
    C8B Fe1B C1B C2B . . . . 47.3(13) ?
    C3B Fe1B C1B C2B . . . . -37.6(7) ?
    C4B Fe1B C1B C2B . . . . -81.4(8) ?
    C7B Fe1B C1B C2B . . . . 82.9(8) ?
    C5B Fe1B C1B C2B . . . . -119.5(9) ?
    C9B Fe1B C1B C2B . . . . -157(2) ?
    C2B Fe1B C1B C5B . . . . 119.5(9) ?
    C6B Fe1B C1B C5B . . . . -114.1(7) ?
    C10B Fe1B C1B C5B . . . . -72.8(9) ?
    C8B Fe1B C1B C5B . . . . 166.7(10) ?
    C3B Fe1B C1B C5B . . . . 81.9(7) ?
    C4B Fe1B C1B C5B . . . . 38.1(7) ?
    C7B Fe1B C1B C5B . . . . -157.6(7) ?
    C9B Fe1B C1B C5B . . . . -37(2) ?
    C2B Fe1B C1B Hg1B . . . . -120.1(10) ?
    C6B Fe1B C1B Hg1B . . . . 6.4(8) ?
    C10B Fe1B C1B Hg1B . . . . 47.7(10) ?
    C8B Fe1B C1B Hg1B . . . . -72.8(13) ?
    C3B Fe1B C1B Hg1B . . . . -157.6(8) ?
    C4B Fe1B C1B Hg1B . . . . 158.6(9) ?
    C7B Fe1B C1B Hg1B . . . . -37.2(9) ?
    C5B Fe1B C1B Hg1B . . . . 120.5(10) ?
    C9B Fe1B C1B Hg1B . . . . 83(2) ?
    C5B C1B C2B C3B . . . . -1.4(12) ?
    Fe1B C1B C2B C3B . . . . 59.3(8) ?
    Hg1B C1B C2B C3B . . . . 179.8(7) ?
    C5B C1B C2B Fe1B . . . . -60.7(8) ?
    Hg1B C1B C2B Fe1B . . . . 120.5(7) ?
    C6B Fe1B C2B C1B . . . . -74.1(8) ?
    C10B Fe1B C2B C1B . . . . -44(2) ?
    C8B Fe1B C2B C1B . . . . -157.5(7) ?
    C3B Fe1B C2B C1B . . . . 119.7(10) ?
    C4B Fe1B C2B C1B . . . . 81.4(7) ?
    C7B Fe1B C2B C1B . . . . -114.3(7) ?
    C5B Fe1B C2B C1B . . . . 37.7(6) ?
    C9B Fe1B C2B C1B . . . . 168.7(10) ?
    C1B Fe1B C2B C3B . . . . -119.7(10) ?
    C6B Fe1B C2B C3B . . . . 166.2(8) ?
    C8B Fe1B C2B C3B . . . . 82.8(8) ?
    C4B Fe1B C2B C3B . . . . -38.3(8) ?
    C7B Fe1B C2B C3B . . . . 126.0(8) ?
    C5B Fe1B C2B C3B . . . . -82.0(8) ?
    C9B Fe1B C2B C3B . . . . 49.0(14) ?
    C1B C2B C3B C4B . . . . 1.3(12) ?
    Fe1B C2B C3B C4B . . . . 59.9(8) ?
    C1B C2B C3B Fe1B . . . . -58.6(7) ?
    C1B Fe1B C3B C4B . . . . -80.6(8) ?
    C2B Fe1B C3B C4B . . . . -117.9(11) ?
    C6B Fe1B C3B C4B . . . . -163.8(18) ?
    C10B Fe1B C3B C4B . . . . 53.8(15) ?
    C8B Fe1B C3B C4B . . . . 127.8(8) ?
    C7B Fe1B C3B C4B . . . . 168.9(8) ?
    C5B Fe1B C3B C4B . . . . -36.7(8) ?
    C9B Fe1B C3B C4B . . . . 85.9(9) ?
    C1B Fe1B C3B C2B . . . . 37.3(7) ?
    C10B Fe1B C3B C2B . . . . 171.7(11) ?
    C8B Fe1B C3B C2B . . . . -114.2(8) ?
    C4B Fe1B C3B C2B . . . . 117.9(11) ?
    C7B Fe1B C3B C2B . . . . -73.2(9) ?
    C5B Fe1B C3B C2B . . . . 81.2(7) ?
    C9B Fe1B C3B C2B . . . . -156.1(7) ?
    C2B C3B C4B C5B . . . . -0.8(13) ?
    Fe1B C3B C4B C5B . . . . 58.7(8) ?
    C2B C3B C4B Fe1B . . . . -59.5(8) ?
    C1B Fe1B C4B C5B . . . . -38.4(7) ?
    C2B Fe1B C4B C5B . . . . -82.3(8) ?
    C6B Fe1B C4B C5B . . . . 49.7(16) ?
    C10B Fe1B C4B C5B . . . . 84.8(9) ?
    C8B Fe1B C4B C5B . . . . 168.2(7) ?
    C3B Fe1B C4B C5B . . . . -120.8(11) ?
    C7B Fe1B C4B C5B . . . . -156.2(19) ?
    C9B Fe1B C4B C5B . . . . 127.6(8) ?
    C1B Fe1B C4B C3B . . . . 82.4(8) ?
    C2B Fe1B C4B C3B . . . . 38.5(7) ?
    C6B Fe1B C4B C3B . . . . 170.5(11) ?
    C10B Fe1B C4B C3B . . . . -154.4(8) ?
    C8B Fe1B C4B C3B . . . . -71.0(10) ?
    C7B Fe1B C4B C3B . . . . -35(2) ?
    C5B Fe1B C4B C3B . . . . 120.8(11) ?
    C9B Fe1B C4B C3B . . . . -111.5(8) ?
    C3B C4B C5B C1B . . . . 0.0(13) ?
    Fe1B C4B C5B C1B . . . . 58.6(7) ?
    C3B C4B C5B Fe1B . . . . -58.6(8) ?
    C2B C1B C5B C4B . . . . 0.9(12) ?
    Fe1B C1B C5B C4B . . . . -59.5(8) ?
    Hg1B C1B C5B C4B . . . . 179.7(8) ?
    C2B C1B C5B Fe1B . . . . 60.4(7) ?
    Hg1B C1B C5B Fe1B . . . . -120.8(8) ?
    C1B Fe1B C5B C4B . . . . 118.2(10) ?
    C2B Fe1B C5B C4B . . . . 80.7(8) ?
    C6B Fe1B C5B C4B . . . . -157.2(8) ?
    C10B Fe1B C5B C4B . . . . -113.7(9) ?
    C3B Fe1B C5B C4B . . . . 36.8(8) ?
    C7B Fe1B C5B C4B . . . . 166.1(11) ?
    C9B Fe1B C5B C4B . . . . -72.3(10) ?
    C2B Fe1B C5B C1B . . . . -37.4(7) ?
    C6B Fe1B C5B C1B . . . . 84.7(8) ?
    C10B Fe1B C5B C1B . . . . 128.1(8) ?
    C8B Fe1B C5B C1B . . . . -156.6(17) ?
    C3B Fe1B C5B C1B . . . . -81.4(7) ?
    C4B Fe1B C5B C1B . . . . -118.2(10) ?
    C7B Fe1B C5B C1B . . . . 47.9(14) ?
    C9B Fe1B C5B C1B . . . . 169.5(7) ?
    C1B Fe1B C6B C10B . . . . 128.1(8) ?
    C2B Fe1B C6B C10B . . . . 169.4(8) ?
    C8B Fe1B C6B C10B . . . . -80.9(9) ?
    C3B Fe1B C6B C10B . . . . -154.2(19) ?
    C4B Fe1B C6B C10B . . . . 50.0(16) ?
    C7B Fe1B C6B C10B . . . . -119.7(11) ?
    C5B Fe1B C6B C10B . . . . 84.7(9) ?
    C9B Fe1B C6B C10B . . . . -37.6(8) ?
    C1B Fe1B C6B C7B . . . . -112.2(8) ?
    C2B Fe1B C6B C7B . . . . -70.9(9) ?
    C10B Fe1B C6B C7B . . . . 119.7(11) ?
    C8B Fe1B C6B C7B . . . . 38.8(8) ?
    C4B Fe1B C6B C7B . . . . 169.6(11) ?
    C5B Fe1B C6B C7B . . . . -155.6(8) ?
    C9B Fe1B C6B C7B . . . . 82.1(9) ?
    C10B C6B C7B C8B . . . . -0.6(13) ?
    Fe1B C6B C7B C8B . . . . -59.7(8) ?
    C10B C6B C7B Fe1B . . . . 59.1(9) ?
    C1B Fe1B C7B C6B . . . . 86.2(9) ?
    C2B Fe1B C7B C6B . . . . 128.6(8) ?
    C10B Fe1B C7B C6B . . . . -37.5(8) ?
    C8B Fe1B C7B C6B . . . . -117.8(12) ?
    C3B Fe1B C7B C6B . . . . 169.4(8) ?
    C4B Fe1B C7B C6B . . . . -162.8(19) ?
    C5B Fe1B C7B C6B . . . . 52.7(15) ?
    C9B Fe1B C7B C6B . . . . -81.2(9) ?
    C1B Fe1B C7B C8B . . . . -156.1(7) ?
    C2B Fe1B C7B C8B . . . . -113.7(8) ?
    C6B Fe1B C7B C8B . . . . 117.8(12) ?
    C10B Fe1B C7B C8B . . . . 80.3(9) ?
    C3B Fe1B C7B C8B . . . . -72.8(10) ?
    C5B Fe1B C7B C8B . . . . 170.4(10) ?
    C9B Fe1B C7B C8B . . . . 36.6(8) ?
    C6B C7B C8B C9B . . . . 0.4(14) ?
    Fe1B C7B C8B C9B . . . . -59.3(9) ?
    C6B C7B C8B Fe1B . . . . 59.7(8) ?
    C1B Fe1B C8B C9B . . . . 171.4(10) ?
    C2B Fe1B C8B C9B . . . . -155.8(8) ?
    C6B Fe1B C8B C9B . . . . 82.0(9) ?
    C10B Fe1B C8B C9B . . . . 37.8(8) ?
    C3B Fe1B C8B C9B . . . . -113.3(8) ?
    C4B Fe1B C8B C9B . . . . -73.3(10) ?
    C7B Fe1B C8B C9B . . . . 120.4(11) ?
    C1B Fe1B C8B C7B . . . . 51.0(13) ?
    C2B Fe1B C8B C7B . . . . 83.8(9) ?
    C6B Fe1B C8B C7B . . . . -38.5(8) ?
    C10B Fe1B C8B C7B . . . . -82.6(9) ?
    C3B Fe1B C8B C7B . . . . 126.3(8) ?
    C4B Fe1B C8B C7B . . . . 166.2(8) ?
    C5B Fe1B C8B C7B . . . . -163.6(17) ?
    C9B Fe1B C8B C7B . . . . -120.4(11) ?
    C7B C8B C9B C10B . . . . -0.1(14) ?
    Fe1B C8B C9B C10B . . . . -58.9(9) ?
    C7B C8B C9B Fe1B . . . . 58.8(9) ?
    C1B Fe1B C9B C8B . . . . -163.2(18) ?
    C2B Fe1B C9B C8B . . . . 49.4(14) ?
    C6B Fe1B C9B C8B . . . . -81.4(8) ?
    C10B Fe1B C9B C8B . . . . -119.2(11) ?
    C3B Fe1B C9B C8B . . . . 83.2(9) ?
    C4B Fe1B C9B C8B . . . . 126.2(8) ?
    C7B Fe1B C9B C8B . . . . -37.5(8) ?
    C5B Fe1B C9B C8B . . . . 166.8(7) ?
    C2B Fe1B C9B C10B . . . . 168.6(10) ?
    C6B Fe1B C9B C10B . . . . 37.7(8) ?
    C8B Fe1B C9B C10B . . . . 119.2(11) ?
    C3B Fe1B C9B C10B . . . . -157.6(8) ?
    C4B Fe1B C9B C10B . . . . -114.6(9) ?
    C7B Fe1B C9B C10B . . . . 81.7(9) ?
    C5B Fe1B C9B C10B . . . . -74.1(10) ?
    C8B C9B C10B C6B . . . . -0.2(14) ?
    Fe1B C9B C10B C6B . . . . -59.4(9) ?
    C8B C9B C10B Fe1B . . . . 59.1(9) ?
    C7B C6B C10B C9B . . . . 0.5(14) ?
    Fe1B C6B C10B C9B . . . . 59.8(9) ?
    C7B C6B C10B Fe1B . . . . -59.2(8) ?
    C1B Fe1B C10B C9B . . . . 167.8(7) ?
    C2B Fe1B C10B C9B . . . . -157(2) ?
    C6B Fe1B C10B C9B . . . . -119.3(11) ?
    C8B Fe1B C10B C9B . . . . -37.4(8) ?
    C3B Fe1B C10B C9B . . . . 46.5(15) ?
    C4B Fe1B C10B C9B . . . . 83.5(9) ?
    C7B Fe1B C10B C9B . . . . -81.8(9) ?
    C5B Fe1B C10B C9B . . . . 126.6(8) ?
    C1B Fe1B C10B C6B . . . . -72.8(9) ?
    C8B Fe1B C10B C6B . . . . 82.0(8) ?
    C3B Fe1B C10B C6B . . . . 165.8(10) ?
    C4B Fe1B C10B C6B . . . . -157.1(8) ?
    C7B Fe1B C10B C6B . . . . 37.5(8) ?
    C5B Fe1B C10B C6B . . . . -114.1(8) ?
    C9B Fe1B C10B C6B . . . . 119.3(11) ?
data_global
_journal_date_recd_electronic     2007-03-27
_journal_date_accepted     2007-04-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      5
_journal_page_first     m1297
_journal_page_last     m1299
_journal_paper_category     EM
_journal_coeditor_code     AT2253
_publ_contact_author_name     'Tatiana V. Timofeeva'
_publ_contact_author_address
;
Departmentof Natural Sciences, New Mexico Highlands University, Las Vegas, NM
87701, USA
;
_publ_contact_author_email     tvtimofeeva@nmhu.edu
_publ_contact_author_fax     '1(505)4253202'
_publ_contact_author_phone     '1(505)4253362'
_publ_section_title
;
A monoclinic polymorph of 1-(chloridomercurio)ferrocene
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Romanov, Aleksander S.' .
;
Department of Natural Sciences, New Mexico Highlands University, Las Vegas,
NM 87701, USA
and
A. N. Nesmeyanov Institute of Organoelement Compounds,
Russian Academy of Sciences, Vavilov Street 28, 119991 Moscow,
Russian Federation
;
    'Yakovenko, Andrey A.' .
;
Department of Natural Sciences, New Mexico Highlands University, Las Vegas,
NM 87701, USA
;
    'Antipin, Mikhail Yu.' .
;
Department of Natural Sciences, New Mexico Highlands University, Las Vegas,
NM 87701, USA
and
A. N. Nesmeyanov Institute of Organoelement Compounds,
Russian Academy of Sciences, Vavilov Street 28, 119991 Moscow,
Russian Federation
;
    'Lindline, Jennifer' .
;
Department of Natural Sciences, New Mexico Highlands University, Las Vegas,
NM 87701, USA
;
    'Timofeeva, Tatiana V.' .
;
Department of Natural Sciences, New Mexico Highlands University, Las Vegas,
NM 87701, USA
;
