#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/32/4083242.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4083242
loop_
_publ_author_name
'Sasamori, Takahiro'
'Miyamoto, Hisashi'
'Sakai, Heisuke'
'Furukawa, Yukio'
'Tokitoh, Norihiro'
_publ_section_title
;
 1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a
 Ge═Ge Unit
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              3904
_journal_paper_doi               10.1021/om300064q
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C50 H64 Fe2 Ge2 Se, 0.5(C6 H14)'
_chemical_formula_sum            'C53 H71 Fe2 Ge2 Se'
_chemical_formula_weight         1043.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.6806(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.99060(10)
_cell_length_b                   16.97000(10)
_cell_length_c                   18.30000(10)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.76
_cell_volume                     4909.01(5)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics
'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material
'Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'ADSC/ Quantum315'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_source         'SPring-8 BL38B1 beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.75000
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32132
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    2.567
_exptl_absorpt_correction_T_max  0.9748
_exptl_absorpt_correction_T_min  0.9505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2156
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.627
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       0.0007(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         8920
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0431P)²+11.5312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0934
_reflns_number_gt                8043
_reflns_number_total             8920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            compound8.cif
_cod_data_source_block           gese
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4083242
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Se1 Se 0.116856(19) 0.106585(18) 0.986992(15) 0.01950(10) Uani 1 1 d .
Ge1 Ge 0.098538(18) 0.232537(18) 0.927552(15) 0.01425(10) Uani 1 1 d .
Ge2 Ge 0.171662(18) 0.224084(18) 1.049988(16) 0.01521(10) Uani 1 1 d .
C1 C -0.01388(18) 0.27561(17) 0.91629(16) 0.0186(6) Uani 1 1 d .
C2 C -0.05936(19) 0.30720(19) 0.84880(19) 0.0252(7) Uani 1 1 d .
H1 H -0.0406 0.3076 0.8020 0.030 Uiso 1 1 calc R
C3 C -0.1371(2) 0.3376(2) 0.8647(2) 0.0325(8) Uani 1 1 d .
H2 H -0.1799 0.3615 0.8302 0.039 Uiso 1 1 calc R
C4 C -0.1402(2) 0.3265(2) 0.9402(2) 0.0349(8) Uani 1 1 d .
H3 H -0.1853 0.3420 0.9654 0.042 Uiso 1 1 calc R
C5 C -0.06507(19) 0.2883(2) 0.97263(19) 0.0258(7) Uani 1 1 d .
H4 H -0.0512 0.2736 1.0231 0.031 Uiso 1 1 calc R
Fe1 Fe -0.12814(2) 0.22080(2) 0.89011(2) 0.01674(11) Uani 1 1 d .
C6 C -0.1077(2) 0.10259(19) 0.8826(2) 0.0291(7) Uani 1 1 d .
H5 H -0.0544 0.0768 0.8920 0.035 Uiso 1 1 calc R
C7 C -0.1615(2) 0.1177(2) 0.93495(19) 0.0296(7) Uani 1 1 d .
H6 H -0.1509 0.1039 0.9858 0.036 Uiso 1 1 calc R
C8 C -0.2341(2) 0.1570(2) 0.89899(19) 0.0295(7) Uani 1 1 d .
H7 H -0.2807 0.1743 0.9214 0.035 Uiso 1 1 calc R
C9 C -0.2252(2) 0.1661(2) 0.82331(19) 0.0319(8) Uani 1 1 d .
H8 H -0.2648 0.1903 0.7862 0.038 Uiso 1 1 calc R
C10 C -0.1465(2) 0.1324(2) 0.81331(18) 0.0295(7) Uani 1 1 d .
H9 H -0.1239 0.1302 0.7682 0.035 Uiso 1 1 calc R
C11 C 0.14557(18) 0.25182(18) 0.83618(16) 0.0183(6) Uani 1 1 d .
C12 C 0.14830(19) 0.19489(19) 0.78071(17) 0.0217(6) Uani 1 1 d .
C13 C 0.1816(2) 0.2165(2) 0.71737(19) 0.0311(8) Uani 1 1 d .
H10 H 0.1835 0.1785 0.6796 0.037 Uiso 1 1 calc R
C14 C 0.2122(2) 0.2923(2) 0.7077(2) 0.0350(9) Uani 1 1 d .
C15 C 0.2069(2) 0.3474(2) 0.7618(2) 0.0314(8) Uani 1 1 d .
H11 H 0.2266 0.3993 0.7553 0.038 Uiso 1 1 calc R
C16 C 0.17377(19) 0.32955(19) 0.82565(18) 0.0237(7) Uani 1 1 d .
C17 C 0.1190(2) 0.11016(18) 0.78844(17) 0.0236(7) Uani 1 1 d .
H12 H 0.0819 0.1095 0.8277 0.028 Uiso 1 1 calc R
C18 C 0.1947(2) 0.0567(2) 0.8142(2) 0.0356(8) Uani 1 1 d .
H13 H 0.1746 0.0037 0.8238 0.053 Uiso 1 1 calc R
H14 H 0.2271 0.0781 0.8596 0.053 Uiso 1 1 calc R
H15 H 0.2311 0.0540 0.7756 0.053 Uiso 1 1 calc R
C19 C 0.0677(3) 0.0770(2) 0.7179(2) 0.0411(9) Uani 1 1 d .
H16 H 0.1035 0.0743 0.6790 0.062 Uiso 1 1 calc R
H17 H 0.0192 0.1114 0.7019 0.062 Uiso 1 1 calc R
H18 H 0.0476 0.0241 0.7277 0.062 Uiso 1 1 calc R
C20 C 0.2472(3) 0.3174(2) 0.6382(2) 0.0438(10) Uani 1 1 d .
H19 H 0.2923 0.3569 0.6554 0.053 Uiso 1 1 calc R
C21 C 0.1800(3) 0.3630(3) 0.5870(2) 0.0534(12) Uani 1 1 d .
H20 H 0.2045 0.3833 0.5448 0.080 Uiso 1 1 calc R
H21 H 0.1597 0.4071 0.6142 0.080 Uiso 1 1 calc R
H22 H 0.1326 0.3279 0.5693 0.080 Uiso 1 1 calc R
C22 C 0.2898(3) 0.2550(3) 0.6024(3) 0.0568(13) Uani 1 1 d .
H23 H 0.3365 0.2335 0.6377 0.085 Uiso 1 1 calc R
H24 H 0.3122 0.2768 0.5597 0.085 Uiso 1 1 calc R
H25 H 0.2494 0.2129 0.5859 0.085 Uiso 1 1 calc R
C23 C 0.1688(2) 0.39575(19) 0.88111(18) 0.0255(7) Uani 1 1 d .
H26 H 0.1386 0.3744 0.9209 0.031 Uiso 1 1 calc R
C24 C 0.1174(2) 0.4654(2) 0.8461(2) 0.0333(8) Uani 1 1 d .
H27 H 0.1142 0.5061 0.8836 0.050 Uiso 1 1 calc R
H28 H 0.0601 0.4477 0.8261 0.050 Uiso 1 1 calc R
H29 H 0.1447 0.4872 0.8061 0.050 Uiso 1 1 calc R
C25 C 0.2567(2) 0.4213(3) 0.9178(2) 0.0433(9) Uani 1 1 d .
H30 H 0.2862 0.3762 0.9434 0.065 Uiso 1 1 calc R
H31 H 0.2515 0.4633 0.9535 0.065 Uiso 1 1 calc R
H32 H 0.2890 0.4407 0.8800 0.065 Uiso 1 1 calc R
C26 C 0.29300(19) 0.23194(17) 1.06911(17) 0.0203(6) Uani 1 1 d .
C27 C 0.3495(2) 0.2280(2) 1.01579(19) 0.0289(7) Uani 1 1 d .
H33 H 0.3341 0.2178 0.9645 0.035 Uiso 1 1 calc R
C28 C 0.4329(2) 0.2423(2) 1.0530(2) 0.0377(9) Uani 1 1 d .
H34 H 0.4828 0.2434 1.0306 0.045 Uiso 1 1 calc R
C29 C 0.4290(2) 0.2543(2) 1.1286(2) 0.0353(8) Uani 1 1 d .
H35 H 0.4758 0.2649 1.1658 0.042 Uiso 1 1 calc R
C30 C 0.3434(2) 0.24785(19) 1.13941(19) 0.0258(7) Uani 1 1 d .
H36 H 0.3229 0.2531 1.1852 0.031 Uiso 1 1 calc R
Fe2 Fe 0.38231(3) 0.14597(3) 1.09662(2) 0.01921(12) Uani 1 1 d .
C31 C 0.3686(3) 0.0364(2) 1.0501(2) 0.0430(10) Uani 1 1 d .
H37 H 0.3443 0.0247 1.0007 0.052 Uiso 1 1 calc R
C32 C 0.3241(2) 0.0405(2) 1.1118(2) 0.0399(9) Uani 1 1 d .
H38 H 0.2653 0.0321 1.1110 0.048 Uiso 1 1 calc R
C33 C 0.3840(2) 0.0596(2) 1.1745(2) 0.0348(8) Uani 1 1 d .
H39 H 0.3723 0.0662 1.2235 0.042 Uiso 1 1 calc R
C34 C 0.4638(2) 0.0670(2) 1.1516(2) 0.0319(8) Uani 1 1 d .
H40 H 0.5152 0.0795 1.1826 0.038 Uiso 1 1 calc R
C35 C 0.4546(3) 0.0527(2) 1.0747(2) 0.0379(9) Uani 1 1 d .
H41 H 0.4985 0.0538 1.0450 0.046 Uiso 1 1 calc R
C36 C 0.11882(17) 0.26141(17) 1.13389(15) 0.0159(6) Uani 1 1 d .
C37 C 0.11401(17) 0.34355(17) 1.14342(15) 0.0168(6) Uani 1 1 d .
C38 C 0.07234(19) 0.37359(19) 1.19913(17) 0.0225(6) Uani 1 1 d .
H42 H 0.0695 0.4291 1.2052 0.027 Uiso 1 1 calc R
C39 C 0.0351(2) 0.3253(2) 1.24576(17) 0.0248(7) Uani 1 1 d .
C40 C 0.0427(2) 0.24393(19) 1.23737(17) 0.0221(6) Uani 1 1 d .
H43 H 0.0193 0.2098 1.2701 0.027 Uiso 1 1 calc R
C41 C 0.08345(18) 0.21120(18) 1.18253(16) 0.0175(6) Uani 1 1 d .
C42 C 0.15302(18) 0.40160(17) 1.09478(16) 0.0182(6) Uani 1 1 d .
H44 H 0.1778 0.3703 1.0570 0.022 Uiso 1 1 calc R
C43 C 0.0856(2) 0.45635(19) 1.05338(18) 0.0246(7) Uani 1 1 d .
H45 H 0.0420 0.4248 1.0233 0.037 Uiso 1 1 calc R
H46 H 0.1121 0.4918 1.0213 0.037 Uiso 1 1 calc R
H47 H 0.0597 0.4875 1.0891 0.037 Uiso 1 1 calc R
C44 C 0.22486(19) 0.44906(19) 1.13905(18) 0.0242(7) Uani 1 1 d .
H48 H 0.2032 0.4779 1.1786 0.036 Uiso 1 1 calc R
H49 H 0.2474 0.4865 1.1062 0.036 Uiso 1 1 calc R
H50 H 0.2699 0.4131 1.1606 0.036 Uiso 1 1 calc R
C45 C -0.0133(2) 0.3603(2) 1.3038(2) 0.0342(8) Uani 1 1 d .
H51 H -0.0135 0.4189 1.2976 0.041 Uiso 1 1 calc R
C46 C -0.1051(3) 0.3329(3) 1.2935(3) 0.0609(14) Uani 1 1 d .
H52 H -0.1070 0.2760 1.3021 0.091 Uiso 1 1 calc R
H53 H -0.1322 0.3447 1.2430 0.091 Uiso 1 1 calc R
H54 H -0.1353 0.3604 1.3288 0.091 Uiso 1 1 calc R
C47 C 0.0285(3) 0.3425(4) 1.3805(2) 0.0626(15) Uani 1 1 d .
H55 H -0.0022 0.3687 1.4161 0.094 Uiso 1 1 calc R
H56 H 0.0870 0.3615 1.3872 0.094 Uiso 1 1 calc R
H57 H 0.0283 0.2854 1.3887 0.094 Uiso 1 1 calc R
C48 C 0.0862(2) 0.12182(18) 1.17687(16) 0.0211(6) Uani 1 1 d .
H58 H 0.1216 0.1078 1.1381 0.025 Uiso 1 1 calc R
C49 C -0.0044(2) 0.0912(2) 1.1513(2) 0.0368(8) Uani 1 1 d .
H59 H -0.0035 0.0336 1.1476 0.055 Uiso 1 1 calc R
H60 H -0.0262 0.1136 1.1028 0.055 Uiso 1 1 calc R
H61 H -0.0410 0.1068 1.1871 0.055 Uiso 1 1 calc R
C50 C 0.1250(3) 0.0832(2) 1.2487(2) 0.0393(9) Uani 1 1 d .
H62 H 0.1829 0.1027 1.2631 0.059 Uiso 1 1 calc R
H63 H 0.1262 0.0259 1.2420 0.059 Uiso 1 1 calc R
H64 H 0.0911 0.0960 1.2875 0.059 Uiso 1 1 calc R
C51 C 0.1269(3) 0.1290(3) 0.4611(3) 0.0600(12) Uani 1 1 d .
H65 H 0.1076 0.1692 0.4932 0.090 Uiso 1 1 calc R
H66 H 0.1404 0.1539 0.4160 0.090 Uiso 1 1 calc R
H67 H 0.1776 0.1031 0.4872 0.090 Uiso 1 1 calc R
C52 C 0.0593(4) 0.0697(4) 0.4415(3) 0.0709(16) Uani 1 1 d .
H68 H 0.0801 0.0281 0.4109 0.085 Uiso 1 1 calc R
H69 H 0.0101 0.0954 0.4113 0.085 Uiso 1 1 calc R
C53 C 0.0311(3) 0.0326(3) 0.5076(2) 0.0563(12) Uani 1 1 d .
H70 H 0.0816 0.0122 0.5400 0.068 Uiso 1 1 calc R
H71 H 0.0059 0.0741 0.5354 0.068 Uiso 1 1 calc R
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
Ge1 Se1 Ge2 59.207(12) .
C1 Ge1 C11 108.53(12) .
C1 Ge1 Ge2 116.38(9) .
C11 Ge1 Ge2 128.17(9) .
C1 Ge1 Se1 115.86(9) .
C11 Ge1 Se1 119.96(9) .
Ge2 Ge1 Se1 60.513(12) .
C26 Ge2 C36 112.10(12) .
C26 Ge2 Ge1 120.53(9) .
C36 Ge2 Ge1 120.66(8) .
C26 Ge2 Se1 115.46(9) .
C36 Ge2 Se1 118.28(9) .
Ge1 Ge2 Se1 60.280(12) .
C5 C1 C2 107.1(3) .
C5 C1 Ge1 127.5(2) .
C2 C1 Ge1 125.2(2) .
C5 C1 Fe1 69.34(17) .
C2 C1 Fe1 69.50(17) .
Ge1 C1 Fe1 129.87(15) .
C3 C2 C1 107.7(3) .
C3 C2 Fe1 69.36(19) .
C1 C2 Fe1 69.27(17) .
C3 C2 H1 126.1 .
C1 C2 H1 126.1 .
Fe1 C2 H1 126.8 .
C4 C3 C2 108.4(3) .
C4 C3 Fe1 69.9(2) .
C2 C3 Fe1 70.0(2) .
C4 C3 H2 125.8 .
C2 C3 H2 125.8 .
Fe1 C3 H2 125.9 .
C3 C4 C5 108.8(3) .
C3 C4 Fe1 69.9(2) .
C5 C4 Fe1 69.69(19) .
C3 C4 H3 125.6 .
C5 C4 H3 125.6 .
Fe1 C4 H3 126.4 .
C4 C5 C1 108.0(3) .
C4 C5 Fe1 69.67(19) .
C1 C5 Fe1 69.72(17) .
C4 C5 H4 126.0 .
C1 C5 H4 126.0 .
Fe1 C5 H4 126.2 .
C4 Fe1 C3 40.26(16) .
C4 Fe1 C5 40.64(14) .
C3 Fe1 C5 68.39(15) .
C4 Fe1 C7 121.78(16) .
C3 Fe1 C7 156.06(15) .
C5 Fe1 C7 108.33(14) .
C4 Fe1 C8 107.21(14) .
C3 Fe1 C8 120.30(14) .
C5 Fe1 C8 124.35(14) .
C7 Fe1 C8 40.55(14) .
C4 Fe1 C6 157.38(16) .
C3 Fe1 C6 161.52(15) .
C5 Fe1 C6 122.40(14) .
C7 Fe1 C6 40.30(15) .
C8 Fe1 C6 68.08(14) .
C4 Fe1 C1 68.60(12) .
C3 Fe1 C1 68.89(13) .
C5 Fe1 C1 40.93(12) .
C7 Fe1 C1 125.19(13) .
C8 Fe1 C1 161.57(13) .
C6 Fe1 C1 108.47(13) .
C4 Fe1 C2 68.13(15) .
C3 Fe1 C2 40.63(13) .
C5 Fe1 C2 68.73(14) .
C7 Fe1 C2 162.32(14) .
C8 Fe1 C2 155.57(13) .
C6 Fe1 C2 125.42(14) .
C1 Fe1 C2 41.23(12) .
C4 Fe1 C10 160.25(15) .
C3 Fe1 C10 124.00(15) .
C5 Fe1 C10 157.67(14) .
C7 Fe1 C10 68.17(14) .
C8 Fe1 C10 68.30(14) .
C6 Fe1 C10 40.64(14) .
C1 Fe1 C10 121.73(13) .
C2 Fe1 C10 107.53(14) .
C4 Fe1 C9 123.59(15) .
C3 Fe1 C9 106.51(15) .
C5 Fe1 C9 160.62(14) .
C7 Fe1 C9 68.29(14) .
C8 Fe1 C9 40.73(14) .
C6 Fe1 C9 68.23(14) .
C1 Fe1 C9 156.57(14) .
C2 Fe1 C9 120.39(14) .
C10 Fe1 C9 40.56(14) .
C7 C6 C10 108.3(3) .
C7 C6 Fe1 69.7(2) .
C10 C6 Fe1 69.9(2) .
C7 C6 H5 125.9 .
C10 C6 H5 125.9 .
Fe1 C6 H5 126.1 .
C6 C7 C8 108.3(3) .
C6 C7 Fe1 69.97(19) .
C8 C7 Fe1 69.75(19) .
C6 C7 H6 125.9 .
C8 C7 H6 125.9 .
Fe1 C7 H6 126.0 .
C7 C8 C9 108.0(3) .
C7 C8 Fe1 69.70(19) .
C9 C8 Fe1 70.02(18) .
C7 C8 H7 126.0 .
C9 C8 H7 126.0 .
Fe1 C8 H7 125.9 .
C10 C9 C8 107.6(3) .
C10 C9 Fe1 69.66(18) .
C8 C9 Fe1 69.26(18) .
C10 C9 H8 126.2 .
C8 C9 H8 126.2 .
Fe1 C9 H8 126.5 .
C9 C10 C6 107.8(3) .
C9 C10 Fe1 69.78(19) .
C6 C10 Fe1 69.46(18) .
C9 C10 H9 126.1 .
C6 C10 H9 126.1 .
Fe1 C10 H9 126.2 .
C12 C11 C16 119.7(3) .
C12 C11 Ge1 123.9(2) .
C16 C11 Ge1 116.2(2) .
C13 C12 C11 118.4(3) .
C13 C12 C17 119.1(3) .
C11 C12 C17 122.5(3) .
C12 C13 C14 122.2(3) .
C12 C13 H10 118.9 .
C14 C13 H10 118.9 .
C15 C14 C13 118.3(3) .
C15 C14 C20 118.7(3) .
C13 C14 C20 122.9(3) .
C14 C15 C16 122.1(3) .
C14 C15 H11 118.9 .
C16 C15 H11 118.9 .
C15 C16 C11 119.2(3) .
C15 C16 C23 117.7(3) .
C11 C16 C23 123.1(3) .
C12 C17 C19 113.7(3) .
C12 C17 C18 110.4(3) .
C19 C17 C18 110.0(3) .
C12 C17 H12 107.5 .
C19 C17 H12 107.5 .
C18 C17 H12 107.5 .
C17 C18 H13 109.5 .
C17 C18 H14 109.5 .
H13 C18 H14 109.5 .
C17 C18 H15 109.5 .
H13 C18 H15 109.5 .
H14 C18 H15 109.5 .
C17 C19 H16 109.5 .
C17 C19 H17 109.5 .
H16 C19 H17 109.5 .
C17 C19 H18 109.5 .
H16 C19 H18 109.5 .
H17 C19 H18 109.5 .
C22 C20 C21 115.2(4) .
C22 C20 C14 115.1(3) .
C21 C20 C14 109.9(3) .
C22 C20 H19 105.2 .
C21 C20 H19 105.2 .
C14 C20 H19 105.2 .
C20 C21 H20 109.5 .
C20 C21 H21 109.5 .
H20 C21 H21 109.5 .
C20 C21 H22 109.5 .
H20 C21 H22 109.5 .
H21 C21 H22 109.5 .
C20 C22 H23 109.5 .
C20 C22 H24 109.5 .
H23 C22 H24 109.5 .
C20 C22 H25 109.5 .
H23 C22 H25 109.5 .
H24 C22 H25 109.5 .
C16 C23 C24 111.8(3) .
C16 C23 C25 111.4(3) .
C24 C23 C25 111.5(3) .
C16 C23 H26 107.3 .
C24 C23 H26 107.3 .
C25 C23 H26 107.3 .
C23 C24 H27 109.5 .
C23 C24 H28 109.5 .
H27 C24 H28 109.5 .
C23 C24 H29 109.5 .
H27 C24 H29 109.5 .
H28 C24 H29 109.5 .
C23 C25 H30 109.5 .
C23 C25 H31 109.5 .
H30 C25 H31 109.5 .
C23 C25 H32 109.5 .
H30 C25 H32 109.5 .
H31 C25 H32 109.5 .
C27 C26 C30 107.1(3) .
C27 C26 Ge2 126.7(2) .
C30 C26 Ge2 126.2(2) .
C27 C26 Fe2 69.26(18) .
C30 C26 Fe2 68.78(17) .
Ge2 C26 Fe2 129.89(16) .
C28 C27 C26 108.0(3) .
C28 C27 Fe2 69.5(2) .
C26 C27 Fe2 69.91(18) .
C28 C27 H33 126.0 .
C26 C27 H33 126.0 .
Fe2 C27 H33 126.2 .
C29 C28 C27 108.5(3) .
C29 C28 Fe2 69.7(2) .
C27 C28 Fe2 69.7(2) .
C29 C28 H34 125.7 .
C27 C28 H34 125.7 .
Fe2 C28 H34 126.5 .
C28 C29 C30 108.2(3) .
C28 C29 Fe2 69.9(2) .
C30 C29 Fe2 69.53(19) .
C28 C29 H35 125.9 .
C30 C29 H35 125.9 .
Fe2 C29 H35 126.3 .
C29 C30 C26 108.2(3) .
C29 C30 Fe2 69.7(2) .
C26 C30 Fe2 70.02(18) .
C29 C30 H36 125.9 .
C26 C30 H36 125.9 .
Fe2 C30 H36 125.9 .
C34 Fe2 C30 125.60(14) .
C34 Fe2 C35 40.72(15) .
C30 Fe2 C35 162.33(15) .
C34 Fe2 C29 105.90(15) .
C30 Fe2 C29 40.76(14) .
C35 Fe2 C29 124.32(16) .
C34 Fe2 C28 117.46(15) .
C30 Fe2 C28 68.40(16) .
C35 Fe2 C28 105.99(16) .
C29 Fe2 C28 40.43(17) .
C34 Fe2 C27 152.41(14) .
C30 Fe2 C27 68.83(14) .
C35 Fe2 C27 118.64(15) .
C29 Fe2 C27 68.62(15) .
C28 Fe2 C27 40.85(14) .
C34 Fe2 C33 40.48(15) .
C30 Fe2 C33 108.29(15) .
C35 Fe2 C33 68.38(16) .
C29 Fe2 C33 118.81(16) .
C28 Fe2 C33 152.19(16) .
C27 Fe2 C33 165.96(15) .
C34 Fe2 C31 68.00(15) .
C30 Fe2 C31 156.09(16) .
C35 Fe2 C31 40.41(16) .
C29 Fe2 C31 162.34(17) .
C28 Fe2 C31 126.20(18) .
C27 Fe2 C31 108.63(16) .
C33 Fe2 C31 68.08(17) .
C34 Fe2 C26 164.54(14) .
C30 Fe2 C26 41.19(12) .
C35 Fe2 C26 154.18(14) .
C29 Fe2 C26 68.90(13) .
C28 Fe2 C26 68.68(13) .
C27 Fe2 C26 40.83(13) .
C33 Fe2 C26 128.11(14) .
C31 Fe2 C26 121.21(14) .
C34 Fe2 C32 68.11(15) .
C30 Fe2 C32 121.15(16) .
C35 Fe2 C32 68.37(17) .
C29 Fe2 C32 154.33(18) .
C28 Fe2 C32 164.86(18) .
C27 Fe2 C32 128.29(15) .
C33 Fe2 C32 40.46(16) .
C31 Fe2 C32 40.63(18) .
C26 Fe2 C32 109.88(14) .
C35 C31 C32 108.5(4) .
C35 C31 Fe2 69.5(2) .
C32 C31 Fe2 70.1(2) .
C35 C31 H37 125.7 .
C32 C31 H37 125.7 .
Fe2 C31 H37 126.2 .
C33 C32 C31 107.3(3) .
C33 C32 Fe2 69.3(2) .
C31 C32 Fe2 69.2(2) .
C33 C32 H38 126.4 .
C31 C32 H38 126.4 .
Fe2 C32 H38 126.7 .
C34 C33 C32 108.1(3) .
C34 C33 Fe2 69.2(2) .
C32 C33 Fe2 70.2(2) .
C34 C33 H39 126.0 .
C32 C33 H39 126.0 .
Fe2 C33 H39 126.2 .
C33 C34 C35 108.6(3) .
C33 C34 Fe2 70.3(2) .
C35 C34 Fe2 70.0(2) .
C33 C34 H40 125.7 .
C35 C34 H40 125.7 .
Fe2 C34 H40 125.6 .
C31 C35 C34 107.5(4) .
C31 C35 Fe2 70.0(2) .
C34 C35 Fe2 69.3(2) .
C31 C35 H41 126.3 .
C34 C35 H41 126.3 .
Fe2 C35 H41 126.0 .
C37 C36 C41 119.0(3) .
C37 C36 Ge2 117.0(2) .
C41 C36 Ge2 124.0(2) .
C38 C37 C36 119.5(3) .
C38 C37 C42 118.3(3) .
C36 C37 C42 122.2(3) .
C39 C38 C37 122.1(3) .
C39 C38 H42 118.9 .
C37 C38 H42 118.9 .
C38 C39 C40 117.8(3) .
C38 C39 C45 120.6(3) .
C40 C39 C45 121.6(3) .
C41 C40 C39 122.1(3) .
C41 C40 H43 118.9 .
C39 C40 H43 118.9 .
C40 C41 C36 119.3(3) .
C40 C41 C48 117.9(3) .
C36 C41 C48 122.7(3) .
C37 C42 C44 111.8(2) .
C37 C42 C43 111.2(2) .
C44 C42 C43 111.0(3) .
C37 C42 H44 107.5 .
C44 C42 H44 107.5 .
C43 C42 H44 107.5 .
C42 C43 H45 109.5 .
C42 C43 H46 109.5 .
H45 C43 H46 109.5 .
C42 C43 H47 109.5 .
H45 C43 H47 109.5 .
H46 C43 H47 109.5 .
C42 C44 H48 109.5 .
C42 C44 H49 109.5 .
H48 C44 H49 109.5 .
C42 C44 H50 109.5 .
H48 C44 H50 109.5 .
H49 C44 H50 109.5 .
C47 C45 C46 109.9(4) .
C47 C45 C39 111.9(3) .
C46 C45 C39 112.0(3) .
C47 C45 H51 107.6 .
C46 C45 H51 107.6 .
C39 C45 H51 107.6 .
C45 C46 H52 109.5 .
C45 C46 H53 109.5 .
H52 C46 H53 109.5 .
C45 C46 H54 109.5 .
H52 C46 H54 109.5 .
H53 C46 H54 109.5 .
C45 C47 H55 109.5 .
C45 C47 H56 109.5 .
H55 C47 H56 109.5 .
C45 C47 H57 109.5 .
H55 C47 H57 109.5 .
H56 C47 H57 109.5 .
C50 C48 C41 112.6(3) .
C50 C48 C49 111.1(3) .
C41 C48 C49 108.7(3) .
C50 C48 H58 108.1 .
C41 C48 H58 108.1 .
C49 C48 H58 108.1 .
C48 C49 H59 109.5 .
C48 C49 H60 109.5 .
H59 C49 H60 109.5 .
C48 C49 H61 109.5 .
H59 C49 H61 109.5 .
H60 C49 H61 109.5 .
C48 C50 H62 109.5 .
C48 C50 H63 109.5 .
H62 C50 H63 109.5 .
C48 C50 H64 109.5 .
H62 C50 H64 109.5 .
H63 C50 H64 109.5 .
C52 C51 H65 109.5 .
C52 C51 H66 109.5 .
H65 C51 H66 109.5 .
C52 C51 H67 109.5 .
H65 C51 H67 109.5 .
H66 C51 H67 109.5 .
C51 C52 C53 112.9(4) .
C51 C52 H68 109.0 .
C53 C52 H68 109.0 .
C51 C52 H69 109.0 .
C53 C52 H69 109.0 .
H68 C52 H69 107.8 .
C53 C53 C52 116.0(5) 3_556
C53 C53 H70 108.3 3_556
C52 C53 H70 108.3 .
C53 C53 H71 108.3 3_556
C52 C53 H71 108.3 .
H70 C53 H71 107.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Se1 Ge1 2.3961(4) .
Se1 Ge2 2.4017(4) .
Ge1 C1 1.923(3) .
Ge1 C11 1.962(3) .
Ge1 Ge2 2.3701(4) .
Ge2 C26 1.924(3) .
Ge2 C36 1.966(3) .
C1 C5 1.426(4) .
C1 C2 1.439(4) .
C1 Fe1 2.042(3) .
C2 C3 1.417(5) .
C2 Fe1 2.045(3) .
C2 H1 0.9500 .
C3 C4 1.402(6) .
C3 Fe1 2.037(4) .
C3 H2 0.9500 .
C4 C5 1.414(5) .
C4 Fe1 2.036(3) .
C4 H3 0.9500 .
C5 Fe1 2.037(3) .
C5 H4 0.9500 .
Fe1 C7 2.037(3) .
Fe1 C8 2.038(3) .
Fe1 C6 2.040(3) .
Fe1 C10 2.046(3) .
Fe1 C9 2.048(3) .
C6 C7 1.405(5) .
C6 C10 1.419(5) .
C6 H5 0.9500 .
C7 C8 1.412(5) .
C7 H6 0.9500 .
C8 C9 1.422(5) .
C8 H7 0.9500 .
C9 C10 1.419(5) .
C9 H8 0.9500 .
C10 H9 0.9500 .
C11 C12 1.407(4) .
C11 C16 1.417(4) .
C12 C13 1.396(4) .
C12 C17 1.525(4) .
C13 C14 1.396(5) .
C13 H10 0.9500 .
C14 C15 1.374(5) .
C14 C20 1.526(5) .
C15 C16 1.387(4) .
C15 H11 0.9500 .
C16 C23 1.524(5) .
C17 C19 1.528(5) .
C17 C18 1.529(5) .
C17 H12 1.0000 .
C18 H13 0.9800 .
C18 H14 0.9800 .
C18 H15 0.9800 .
C19 H16 0.9800 .
C19 H17 0.9800 .
C19 H18 0.9800 .
C20 C22 1.466(6) .
C20 C21 1.525(6) .
C20 H19 1.0000 .
C21 H20 0.9800 .
C21 H21 0.9800 .
C21 H22 0.9800 .
C22 H23 0.9800 .
C22 H24 0.9800 .
C22 H25 0.9800 .
C23 C24 1.525(5) .
C23 C25 1.526(5) .
C23 H26 1.0000 .
C24 H27 0.9800 .
C24 H28 0.9800 .
C24 H29 0.9800 .
C25 H30 0.9800 .
C25 H31 0.9800 .
C25 H32 0.9800 .
C26 C27 1.427(5) .
C26 C30 1.437(4) .
C26 Fe2 2.050(3) .
C27 C28 1.424(5) .
C27 Fe2 2.042(3) .
C27 H33 0.9500 .
C28 C29 1.408(6) .
C28 Fe2 2.039(4) .
C28 H34 0.9500 .
C29 C30 1.417(5) .
C29 Fe2 2.036(4) .
C29 H35 0.9500 .
C30 Fe2 2.034(3) .
C30 H36 0.9500 .
Fe2 C34 2.027(3) .
Fe2 C35 2.036(4) .
Fe2 C33 2.042(4) .
Fe2 C31 2.042(4) .
Fe2 C32 2.054(4) .
C31 C35 1.409(6) .
C31 C32 1.422(6) .
C31 H37 0.9500 .
C32 C33 1.416(6) .
C32 H38 0.9500 .
C33 C34 1.408(5) .
C33 H39 0.9500 .
C34 C35 1.413(5) .
C34 H40 0.9500 .
C35 H41 0.9500 .
C36 C37 1.408(4) .
C36 C41 1.411(4) .
C37 C38 1.396(4) .
C37 C42 1.523(4) .
C38 C39 1.382(5) .
C38 H42 0.9500 .
C39 C40 1.396(5) .
C39 C45 1.527(4) .
C40 C41 1.392(4) .
C40 H43 0.9500 .
C41 C48 1.521(4) .
C42 C44 1.531(4) .
C42 C43 1.534(4) .
C42 H44 1.0000 .
C43 H45 0.9800 .
C43 H46 0.9800 .
C43 H47 0.9800 .
C44 H48 0.9800 .
C44 H49 0.9800 .
C44 H50 0.9800 .
C45 C47 1.492(6) .
C45 C46 1.526(6) .
C45 H51 1.0000 .
C46 H52 0.9800 .
C46 H53 0.9800 .
C46 H54 0.9800 .
C47 H55 0.9800 .
C47 H56 0.9800 .
C47 H57 0.9800 .
C48 C50 1.516(4) .
C48 C49 1.544(5) .
C48 H58 1.0000 .
C49 H59 0.9800 .
C49 H60 0.9800 .
C49 H61 0.9800 .
C50 H62 0.9800 .
C50 H63 0.9800 .
C50 H64 0.9800 .
C51 C52 1.481(7) .
C51 H65 0.9800 .
C51 H66 0.9800 .
C51 H67 0.9800 .
C52 C53 1.492(7) .
C52 H68 0.9900 .
C52 H69 0.9900 .
C53 C53 1.486(10) 3_556
C53 H70 0.9900 .
C53 H71 0.9900 .
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
_geom_torsion_site_symmetry_4
Ge2 Se1 Ge1 C1 -107.04(10) .
Ge2 Se1 Ge1 C11 119.57(10) .
C1 Ge1 Ge2 C26 -150.04(14) .
C11 Ge1 Ge2 C26 -2.81(16) .
Se1 Ge1 Ge2 C26 103.77(11) .
C1 Ge1 Ge2 C36 -1.01(14) .
C11 Ge1 Ge2 C36 146.22(16) .
Se1 Ge1 Ge2 C36 -107.20(10) .
C1 Ge1 Ge2 Se1 106.19(10) .
C11 Ge1 Ge2 Se1 -106.58(12) .
Ge1 Se1 Ge2 C26 -112.09(10) .
Ge1 Se1 Ge2 C36 111.08(9) .
C11 Ge1 C1 C5 -167.2(3) .
Ge2 Ge1 C1 C5 -13.9(3) .
Se1 Ge1 C1 C5 54.4(3) .
C11 Ge1 C1 C2 7.5(3) .
Ge2 Ge1 C1 C2 160.8(2) .
Se1 Ge1 C1 C2 -130.9(2) .
C11 Ge1 C1 Fe1 99.2(2) .
Ge2 Ge1 C1 Fe1 -107.42(18) .
Se1 Ge1 C1 Fe1 -39.1(2) .
C5 C1 C2 C3 -0.5(4) .
Ge1 C1 C2 C3 -176.1(2) .
Fe1 C1 C2 C3 58.9(2) .
C5 C1 C2 Fe1 -59.4(2) .
Ge1 C1 C2 Fe1 125.0(2) .
C1 C2 C3 C4 0.7(4) .
Fe1 C2 C3 C4 59.5(2) .
C1 C2 C3 Fe1 -58.8(2) .
C2 C3 C4 C5 -0.6(4) .
Fe1 C3 C4 C5 59.0(2) .
C2 C3 C4 Fe1 -59.6(2) .
C3 C4 C5 C1 0.3(4) .
Fe1 C4 C5 C1 59.4(2) .
C3 C4 C5 Fe1 -59.1(2) .
C2 C1 C5 C4 0.2(4) .
Ge1 C1 C5 C4 175.6(2) .
Fe1 C1 C5 C4 -59.4(2) .
C2 C1 C5 Fe1 59.5(2) .
Ge1 C1 C5 Fe1 -125.0(2) .
C5 C4 Fe1 C3 -120.1(3) .
C3 C4 Fe1 C5 120.1(3) .
C3 C4 Fe1 C7 -158.8(2) .
C5 C4 Fe1 C7 81.2(2) .
C3 C4 Fe1 C8 -116.8(2) .
C5 C4 Fe1 C8 123.1(2) .
C3 C4 Fe1 C6 169.0(3) .
C5 C4 Fe1 C6 48.9(4) .
C3 C4 Fe1 C1 82.2(2) .
C5 C4 Fe1 C1 -37.9(2) .
C3 C4 Fe1 C2 37.68(19) .
C5 C4 Fe1 C2 -82.4(2) .
C3 C4 Fe1 C10 -43.3(5) .
C5 C4 Fe1 C10 -163.3(4) .
C3 C4 Fe1 C9 -75.1(2) .
C5 C4 Fe1 C9 164.8(2) .
C2 C3 Fe1 C4 119.4(3) .
C4 C3 Fe1 C5 -37.32(19) .
C2 C3 Fe1 C5 82.1(2) .
C4 C3 Fe1 C7 49.3(4) .
C2 C3 Fe1 C7 168.8(3) .
C4 C3 Fe1 C8 80.8(2) .
C2 C3 Fe1 C8 -159.8(2) .
C4 C3 Fe1 C6 -166.6(4) .
C2 C3 Fe1 C6 -47.2(5) .
C4 C3 Fe1 C1 -81.4(2) .
C2 C3 Fe1 C1 37.99(19) .
C4 C3 Fe1 C2 -119.4(3) .
C4 C3 Fe1 C10 163.8(2) .
C2 C3 Fe1 C10 -76.8(2) .
C4 C3 Fe1 C9 122.9(2) .
C2 C3 Fe1 C9 -117.7(2) .
C1 C5 Fe1 C4 -119.3(3) .
C4 C5 Fe1 C3 37.0(2) .
C1 C5 Fe1 C3 -82.3(2) .
C4 C5 Fe1 C7 -117.8(2) .
C1 C5 Fe1 C7 123.0(2) .
C4 C5 Fe1 C8 -75.8(3) .
C1 C5 Fe1 C8 164.99(19) .
C4 C5 Fe1 C6 -159.9(2) .
C1 C5 Fe1 C6 80.8(2) .
C4 C5 Fe1 C1 119.3(3) .
C4 C5 Fe1 C2 80.8(2) .
C1 C5 Fe1 C2 -38.47(18) .
C4 C5 Fe1 C10 165.2(4) .
C1 C5 Fe1 C10 46.0(5) .
C4 C5 Fe1 C9 -41.2(5) .
C1 C5 Fe1 C9 -160.4(4) .
C5 C1 Fe1 C4 37.6(2) .
C2 C1 Fe1 C4 -80.8(2) .
Ge1 C1 Fe1 C4 159.8(3) .
C5 C1 Fe1 C3 81.0(2) .
C2 C1 Fe1 C3 -37.5(2) .
Ge1 C1 Fe1 C3 -156.8(2) .
C2 C1 Fe1 C5 -118.4(3) .
Ge1 C1 Fe1 C5 122.2(3) .
C5 C1 Fe1 C7 -77.0(2) .
C2 C1 Fe1 C7 164.6(2) .
Ge1 C1 Fe1 C7 45.3(3) .
C5 C1 Fe1 C8 -42.6(5) .
C2 C1 Fe1 C8 -161.0(4) .
Ge1 C1 Fe1 C8 79.7(5) .
C5 C1 Fe1 C6 -118.5(2) .
C2 C1 Fe1 C6 123.1(2) .
Ge1 C1 Fe1 C6 3.7(2) .
C5 C1 Fe1 C2 118.4(3) .
Ge1 C1 Fe1 C2 -119.4(3) .
C5 C1 Fe1 C10 -161.3(2) .
C2 C1 Fe1 C10 80.3(2) .
Ge1 C1 Fe1 C10 -39.0(3) .
C5 C1 Fe1 C9 163.8(3) .
C2 C1 Fe1 C9 45.4(4) .
Ge1 C1 Fe1 C9 -74.0(4) .
C3 C2 Fe1 C4 -37.3(2) .
C1 C2 Fe1 C4 82.0(2) .
C1 C2 Fe1 C3 119.4(3) .
C3 C2 Fe1 C5 -81.2(2) .
C1 C2 Fe1 C5 38.20(18) .
C3 C2 Fe1 C7 -164.9(4) .
C1 C2 Fe1 C7 -45.5(5) .
C3 C2 Fe1 C8 46.2(4) .
C1 C2 Fe1 C8 165.6(3) .
C3 C2 Fe1 C6 163.4(2) .
C1 C2 Fe1 C6 -77.2(2) .
C3 C2 Fe1 C1 -119.4(3) .
C3 C2 Fe1 C10 122.2(2) .
C1 C2 Fe1 C10 -118.44(19) .
C3 C2 Fe1 C9 79.8(3) .
C1 C2 Fe1 C9 -160.85(19) .
C4 Fe1 C6 C7 44.5(4) .
C3 Fe1 C6 C7 -158.4(4) .
C5 Fe1 C6 C7 80.1(2) .
C8 Fe1 C6 C7 -37.6(2) .
C1 Fe1 C6 C7 123.1(2) .
C2 Fe1 C6 C7 165.72(19) .
C10 Fe1 C6 C7 -119.4(3) .
C9 Fe1 C6 C7 -81.7(2) .
C4 Fe1 C6 C10 163.9(3) .
C3 Fe1 C6 C10 -39.0(5) .
C5 Fe1 C6 C10 -160.5(2) .
C7 Fe1 C6 C10 119.4(3) .
C8 Fe1 C6 C10 81.8(2) .
C1 Fe1 C6 C10 -117.5(2) .
C2 Fe1 C6 C10 -74.9(2) .
C9 Fe1 C6 C10 37.7(2) .
C10 C6 C7 C8 0.0(4) .
Fe1 C6 C7 C8 59.4(2) .
C10 C6 C7 Fe1 -59.5(2) .
C4 Fe1 C7 C6 -161.5(2) .
C3 Fe1 C7 C6 163.3(3) .
C5 Fe1 C7 C6 -118.8(2) .
C8 Fe1 C7 C6 119.4(3) .
C1 Fe1 C7 C6 -76.6(2) .
C2 Fe1 C7 C6 -41.5(5) .
C10 Fe1 C7 C6 37.7(2) .
C9 Fe1 C7 C6 81.5(2) .
C4 Fe1 C7 C8 79.1(2) .
C3 Fe1 C7 C8 43.9(4) .
C5 Fe1 C7 C8 121.8(2) .
C6 Fe1 C7 C8 -119.4(3) .
C1 Fe1 C7 C8 164.05(19) .
C2 Fe1 C7 C8 -160.8(4) .
C10 Fe1 C7 C8 -81.7(2) .
C9 Fe1 C7 C8 -37.9(2) .
C6 C7 C8 C9 0.2(4) .
Fe1 C7 C8 C9 59.8(2) .
C6 C7 C8 Fe1 -59.6(2) .
C4 Fe1 C8 C7 -119.1(2) .
C3 Fe1 C8 C7 -161.0(2) .
C5 Fe1 C8 C7 -77.7(2) .
C6 Fe1 C8 C7 37.4(2) .
C1 Fe1 C8 C7 -45.3(5) .
C2 Fe1 C8 C7 166.0(3) .
C10 Fe1 C8 C7 81.3(2) .
C9 Fe1 C8 C7 119.1(3) .
C4 Fe1 C8 C9 121.9(2) .
C3 Fe1 C8 C9 80.0(3) .
C5 Fe1 C8 C9 163.2(2) .
C7 Fe1 C8 C9 -119.1(3) .
C6 Fe1 C8 C9 -81.6(2) .
C1 Fe1 C8 C9 -164.3(4) .
C2 Fe1 C8 C9 47.0(4) .
C10 Fe1 C8 C9 -37.7(2) .
C7 C8 C9 C10 -0.3(4) .
Fe1 C8 C9 C10 59.3(2) .
C7 C8 C9 Fe1 -59.6(2) .
C4 Fe1 C9 C10 164.1(2) .
C3 Fe1 C9 C10 123.4(2) .
C5 Fe1 C9 C10 -164.9(4) .
C7 Fe1 C9 C10 -81.3(2) .
C8 Fe1 C9 C10 -119.1(3) .
C6 Fe1 C9 C10 -37.8(2) .
C1 Fe1 C9 C10 48.5(4) .
C2 Fe1 C9 C10 81.5(2) .
C4 Fe1 C9 C8 -76.9(3) .
C3 Fe1 C9 C8 -117.5(2) .
C5 Fe1 C9 C8 -45.9(5) .
C7 Fe1 C9 C8 37.7(2) .
C6 Fe1 C9 C8 81.2(2) .
C1 Fe1 C9 C8 167.6(3) .
C2 Fe1 C9 C8 -159.5(2) .
C10 Fe1 C9 C8 119.1(3) .
C8 C9 C10 C6 0.2(4) .
Fe1 C9 C10 C6 59.3(2) .
C8 C9 C10 Fe1 -59.1(2) .
C7 C6 C10 C9 -0.1(4) .
Fe1 C6 C10 C9 -59.5(2) .
C7 C6 C10 Fe1 59.4(2) .
C4 Fe1 C10 C9 -42.6(5) .
C3 Fe1 C10 C9 -74.9(2) .
C5 Fe1 C10 C9 166.9(3) .
C7 Fe1 C10 C9 81.7(2) .
C8 Fe1 C10 C9 37.9(2) .
C6 Fe1 C10 C9 119.0(3) .
C1 Fe1 C10 C9 -159.5(2) .
C2 Fe1 C10 C9 -116.5(2) .
C4 Fe1 C10 C6 -161.6(4) .
C3 Fe1 C10 C6 166.1(2) .
C5 Fe1 C10 C6 47.8(5) .
C7 Fe1 C10 C6 -37.4(2) .
C8 Fe1 C10 C6 -81.2(2) .
C1 Fe1 C10 C6 81.5(2) .
C2 Fe1 C10 C6 124.4(2) .
C9 Fe1 C10 C6 -119.0(3) .
C1 Ge1 C11 C12 -100.0(3) .
Ge2 Ge1 C11 C12 110.7(2) .
Se1 Ge1 C11 C12 36.4(3) .
C1 Ge1 C11 C16 76.6(2) .
Ge2 Ge1 C11 C16 -72.7(2) .
Se1 Ge1 C11 C16 -147.04(19) .
C16 C11 C12 C13 2.0(4) .
Ge1 C11 C12 C13 178.5(2) .
C16 C11 C12 C17 179.9(3) .
Ge1 C11 C12 C17 -3.6(4) .
C11 C12 C13 C14 0.2(5) .
C17 C12 C13 C14 -177.8(3) .
C12 C13 C14 C15 -1.8(6) .
C12 C13 C14 C20 -178.8(3) .
C13 C14 C15 C16 1.1(6) .
C20 C14 C15 C16 178.3(3) .
C14 C15 C16 C11 1.0(5) .
C14 C15 C16 C23 -178.4(3) .
C12 C11 C16 C15 -2.6(5) .
Ge1 C11 C16 C15 -179.3(2) .
C12 C11 C16 C23 176.8(3) .
Ge1 C11 C16 C23 0.1(4) .
C13 C12 C17 C19 -44.0(4) .
C11 C12 C17 C19 138.1(3) .
C13 C12 C17 C18 80.1(4) .
C11 C12 C17 C18 -97.8(3) .
C15 C14 C20 C22 150.7(4) .
C13 C14 C20 C22 -32.3(6) .
C15 C14 C20 C21 -77.3(5) .
C13 C14 C20 C21 99.6(5) .
C15 C16 C23 C24 57.2(4) .
C11 C16 C23 C24 -122.2(3) .
C15 C16 C23 C25 -68.3(4) .
C11 C16 C23 C25 112.3(4) .
C36 Ge2 C26 C27 -164.2(3) .
Ge1 Ge2 C26 C27 -12.7(3) .
Se1 Ge2 C26 C27 56.4(3) .
C36 Ge2 C26 C30 11.6(3) .
Ge1 Ge2 C26 C30 163.1(2) .
Se1 Ge2 C26 C30 -127.8(3) .
C36 Ge2 C26 Fe2 103.2(2) .
Ge1 Ge2 C26 Fe2 -105.38(19) .
Se1 Ge2 C26 Fe2 -36.3(2) .
C30 C26 C27 C28 -0.6(4) .
Ge2 C26 C27 C28 175.8(2) .
Fe2 C26 C27 C28 -59.2(2) .
C30 C26 C27 Fe2 58.6(2) .
Ge2 C26 C27 Fe2 -125.0(2) .
C26 C27 C28 C29 0.5(4) .
Fe2 C27 C28 C29 -59.1(3) .
C26 C27 C28 Fe2 59.5(2) .
C27 C28 C29 C30 -0.1(4) .
Fe2 C28 C29 C30 -59.2(2) .
C27 C28 C29 Fe2 59.1(3) .
C28 C29 C30 C26 -0.3(4) .
Fe2 C29 C30 C26 -59.7(2) .
C28 C29 C30 Fe2 59.4(3) .
C27 C26 C30 C29 0.6(4) .
Ge2 C26 C30 C29 -175.9(2) .
Fe2 C26 C30 C29 59.5(2) .
C27 C26 C30 Fe2 -58.9(2) .
Ge2 C26 C30 Fe2 124.6(2) .
C29 C30 Fe2 C34 71.7(3) .
C26 C30 Fe2 C34 -169.07(19) .
C29 C30 Fe2 C35 37.2(6) .
C26 C30 Fe2 C35 156.4(5) .
C26 C30 Fe2 C29 119.2(3) .
C29 C30 Fe2 C28 -37.4(2) .
C26 C30 Fe2 C28 81.9(2) .
C29 C30 Fe2 C27 -81.4(2) .
C26 C30 Fe2 C27 37.85(19) .
C29 C30 Fe2 C33 113.2(2) .
C26 C30 Fe2 C33 -127.5(2) .
C29 C30 Fe2 C31 -169.8(4) .
C26 C30 Fe2 C31 -50.5(5) .
C29 C30 Fe2 C26 -119.2(3) .
C29 C30 Fe2 C32 155.8(2) .
C26 C30 Fe2 C32 -85.0(2) .
C28 C29 Fe2 C34 113.9(2) .
C30 C29 Fe2 C34 -126.6(2) .
C28 C29 Fe2 C30 -119.5(3) .
C28 C29 Fe2 C35 73.3(3) .
C30 C29 Fe2 C35 -167.2(2) .
C30 C29 Fe2 C28 119.5(3) .
C28 C29 Fe2 C27 -37.5(2) .
C30 C29 Fe2 C27 82.0(2) .
C28 C29 Fe2 C33 155.6(2) .
C30 C29 Fe2 C33 -84.9(2) .
C28 C29 Fe2 C31 46.8(6) .
C30 C29 Fe2 C31 166.3(5) .
C28 C29 Fe2 C26 -81.5(2) .
C30 C29 Fe2 C26 38.0(2) .
C28 C29 Fe2 C32 -173.7(3) .
C30 C29 Fe2 C32 -54.2(4) .
C29 C28 Fe2 C34 -82.3(2) .
C27 C28 Fe2 C34 157.8(2) .
C29 C28 Fe2 C30 37.7(2) .
C27 C28 Fe2 C30 -82.2(2) .
C29 C28 Fe2 C35 -124.6(2) .
C27 C28 Fe2 C35 115.5(2) .
C27 C28 Fe2 C29 -119.9(3) .
C29 C28 Fe2 C27 119.9(3) .
C29 C28 Fe2 C33 -50.8(4) .
C27 C28 Fe2 C33 -170.6(3) .
C29 C28 Fe2 C31 -164.1(2) .
C27 C28 Fe2 C31 76.0(3) .
C29 C28 Fe2 C26 82.1(2) .
C27 C28 Fe2 C26 -37.8(2) .
C29 C28 Fe2 C32 169.5(5) .
C27 C28 Fe2 C32 49.6(6) .
C28 C27 Fe2 C34 -46.3(4) .
C26 C27 Fe2 C34 -165.5(3) .
C28 C27 Fe2 C30 81.0(2) .
C26 C27 Fe2 C30 -38.18(19) .
C28 C27 Fe2 C35 -81.3(3) .
C26 C27 Fe2 C35 159.5(2) .
C28 C27 Fe2 C29 37.2(2) .
C26 C27 Fe2 C29 -82.1(2) .
C26 C27 Fe2 C28 -119.2(3) .
C28 C27 Fe2 C33 161.8(6) .
C26 C27 Fe2 C33 42.5(7) .
C28 C27 Fe2 C31 -124.3(3) .
C26 C27 Fe2 C31 116.5(2) .
C28 C27 Fe2 C26 119.2(3) .
C28 C27 Fe2 C32 -165.3(2) .
C26 C27 Fe2 C32 75.5(3) .
C27 C26 Fe2 C34 154.3(5) .
C30 C26 Fe2 C34 35.3(6) .
Ge2 C26 Fe2 C34 -84.7(6) .
C27 C26 Fe2 C30 118.9(3) .
Ge2 C26 Fe2 C30 -120.0(3) .
C27 C26 Fe2 C35 -44.9(4) .
C30 C26 Fe2 C35 -163.8(3) .
Ge2 C26 Fe2 C35 76.2(4) .
C27 C26 Fe2 C29 81.3(2) .
C30 C26 Fe2 C29 -37.6(2) .
Ge2 C26 Fe2 C29 -157.7(3) .
C27 C26 Fe2 C28 37.8(2) .
C30 C26 Fe2 C28 -81.1(2) .
Ge2 C26 Fe2 C28 158.8(3) .
C30 C26 Fe2 C27 -118.9(3) .
Ge2 C26 Fe2 C27 121.0(3) .
C27 C26 Fe2 C33 -168.0(2) .
C30 C26 Fe2 C33 73.1(2) .
Ge2 C26 Fe2 C33 -46.9(3) .
C27 C26 Fe2 C31 -82.5(3) .
C30 C26 Fe2 C31 158.5(2) .
Ge2 C26 Fe2 C31 38.5(3) .
C27 C26 Fe2 C32 -126.1(2) .
C30 C26 Fe2 C32 115.0(2) .
Ge2 C26 Fe2 C32 -5.1(3) .
C34 Fe2 C31 C35 -38.1(2) .
C30 Fe2 C31 C35 -167.8(3) .
C29 Fe2 C31 C35 34.7(6) .
C28 Fe2 C31 C35 70.5(3) .
C27 Fe2 C31 C35 112.6(2) .
C33 Fe2 C31 C35 -82.0(3) .
C26 Fe2 C31 C35 155.8(2) .
C32 Fe2 C31 C35 -119.7(3) .
C34 Fe2 C31 C32 81.6(2) .
C30 Fe2 C31 C32 -48.0(5) .
C35 Fe2 C31 C32 119.7(3) .
C29 Fe2 C31 C32 154.4(5) .
C28 Fe2 C31 C32 -169.7(2) .
C27 Fe2 C31 C32 -127.7(2) .
C33 Fe2 C31 C32 37.8(2) .
C26 Fe2 C31 C32 -84.5(3) .
C35 C31 C32 C33 0.1(4) .
Fe2 C31 C32 C33 -59.1(3) .
C35 C31 C32 Fe2 59.1(3) .
C34 Fe2 C32 C33 37.6(2) .
C30 Fe2 C32 C33 -81.7(2) .
C35 Fe2 C32 C33 81.6(2) .
C29 Fe2 C32 C33 -43.5(4) .
C28 Fe2 C32 C33 152.3(5) .
C27 Fe2 C32 C33 -168.3(2) .
C31 Fe2 C32 C33 118.9(3) .
C26 Fe2 C32 C33 -126.0(2) .
C34 Fe2 C32 C31 -81.3(2) .
C30 Fe2 C32 C31 159.4(2) .
C35 Fe2 C32 C31 -37.3(2) .
C29 Fe2 C32 C31 -162.4(3) .
C28 Fe2 C32 C31 33.4(7) .
C27 Fe2 C32 C31 72.8(3) .
C33 Fe2 C32 C31 -118.9(3) .
C26 Fe2 C32 C31 115.1(2) .
C31 C32 C33 C34 0.0(4) .
Fe2 C32 C33 C34 -59.1(2) .
C31 C32 C33 Fe2 59.0(3) .
C30 Fe2 C33 C34 -123.9(2) .
C35 Fe2 C33 C34 37.7(2) .
C29 Fe2 C33 C34 -80.6(3) .
C28 Fe2 C33 C34 -45.7(4) .
C27 Fe2 C33 C34 160.4(6) .
C31 Fe2 C33 C34 81.3(2) .
C26 Fe2 C33 C34 -165.4(2) .
C32 Fe2 C33 C34 119.3(3) .
C34 Fe2 C33 C32 -119.3(3) .
C30 Fe2 C33 C32 116.9(2) .
C35 Fe2 C33 C32 -81.6(3) .
C29 Fe2 C33 C32 160.1(2) .
C28 Fe2 C33 C32 -164.9(3) .
C27 Fe2 C33 C32 41.1(7) .
C31 Fe2 C33 C32 -37.9(2) .
C26 Fe2 C33 C32 75.3(3) .
C32 C33 C34 C35 0.0(4) .
Fe2 C33 C34 C35 -59.7(3) .
C32 C33 C34 Fe2 59.7(2) .
C30 Fe2 C34 C33 75.9(3) .
C35 Fe2 C34 C33 -119.4(3) .
C29 Fe2 C34 C33 116.0(2) .
C28 Fe2 C34 C33 157.9(2) .
C27 Fe2 C34 C33 -169.9(3) .
C31 Fe2 C34 C33 -81.6(3) .
C26 Fe2 C34 C33 47.9(6) .
C32 Fe2 C34 C33 -37.6(2) .
C30 Fe2 C34 C35 -164.7(2) .
C29 Fe2 C34 C35 -124.6(3) .
C28 Fe2 C34 C35 -82.7(3) .
C27 Fe2 C34 C35 -50.4(4) .
C33 Fe2 C34 C35 119.4(3) .
C31 Fe2 C34 C35 37.9(3) .
C26 Fe2 C34 C35 167.4(5) .
C32 Fe2 C34 C35 81.8(3) .
C32 C31 C35 C34 -0.1(4) .
Fe2 C31 C35 C34 59.4(3) .
C32 C31 C35 Fe2 -59.5(3) .
C33 C34 C35 C31 0.0(4) .
Fe2 C34 C35 C31 -59.9(3) .
C33 C34 C35 Fe2 59.9(3) .
C34 Fe2 C35 C31 118.6(4) .
C30 Fe2 C35 C31 163.6(5) .
C29 Fe2 C35 C31 -167.9(3) .
C28 Fe2 C35 C31 -127.7(3) .
C27 Fe2 C35 C31 -85.4(3) .
C33 Fe2 C35 C31 81.1(3) .
C26 Fe2 C35 C31 -53.7(5) .
C32 Fe2 C35 C31 37.5(3) .
C30 Fe2 C35 C34 45.0(6) .
C29 Fe2 C35 C34 73.5(3) .
C28 Fe2 C35 C34 113.7(2) .
C27 Fe2 C35 C34 156.0(2) .
C33 Fe2 C35 C34 -37.5(2) .
C31 Fe2 C35 C34 -118.6(4) .
C26 Fe2 C35 C34 -172.3(3) .
C32 Fe2 C35 C34 -81.1(3) .
C26 Ge2 C36 C37 76.7(2) .
Ge1 Ge2 C36 C37 -74.7(2) .
Se1 Ge2 C36 C37 -145.08(18) .
C26 Ge2 C36 C41 -105.6(2) .
Ge1 Ge2 C36 C41 103.0(2) .
Se1 Ge2 C36 C41 32.6(3) .
C41 C36 C37 C38 -1.9(4) .
Ge2 C36 C37 C38 175.9(2) .
C41 C36 C37 C42 178.1(2) .
Ge2 C36 C37 C42 -4.1(3) .
C36 C37 C38 C39 -0.1(4) .
C42 C37 C38 C39 180.0(3) .
C37 C38 C39 C40 2.2(5) .
C37 C38 C39 C45 -177.3(3) .
C38 C39 C40 C41 -2.3(5) .
C45 C39 C40 C41 177.1(3) .
C39 C40 C41 C36 0.4(5) .
C39 C40 C41 C48 -178.4(3) .
C37 C36 C41 C40 1.8(4) .
Ge2 C36 C41 C40 -175.9(2) .
C37 C36 C41 C48 -179.5(3) .
Ge2 C36 C41 C48 2.8(4) .
C38 C37 C42 C44 64.5(3) .
C36 C37 C42 C44 -115.4(3) .
C38 C37 C42 C43 -60.2(3) .
C36 C37 C42 C43 119.9(3) .
C38 C39 C45 C47 -115.0(4) .
C40 C39 C45 C47 65.5(5) .
C38 C39 C45 C46 121.0(4) .
C40 C39 C45 C46 -58.4(5) .
C40 C41 C48 C50 -55.9(4) .
C36 C41 C48 C50 125.4(3) .
C40 C41 C48 C49 67.7(4) .
C36 C41 C48 C49 -111.0(3) .
C51 C52 C53 C53 -174.6(6) 3_556
