#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:44:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178721 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/32/4083249.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_4083249
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 O2'
_chemical_formula_sum            'C50 H64 Fe2 Ge2 O2'
_chemical_formula_weight         953.89
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.5790(8)
_cell_angle_beta                 97.8753(9)
_cell_angle_gamma                93.8906(19)
_cell_formula_units_Z            1
_cell_length_a                   9.2367(2)
_cell_length_b                   10.9748(2)
_cell_length_c                   11.4772(2)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.79
_cell_volume                     1131.51(4)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.922
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8344
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    1.981
_exptl_absorpt_correction_T_max  0.9074
_exptl_absorpt_correction_T_min  0.7969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.424
_refine_diff_density_min         -0.273
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0259
_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)+(0.0383P)²+0.4822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0689
_refine_ls_wR_factor_ref         0.0695
_reflns_number_gt                3577
_reflns_number_total             3671
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            compound5.cif
_cod_data_source_block           gekoware
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4083249
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ge1 Ge 0.492465(16) 0.609427(14) 0.468222(13) 0.01423(9) Uani 1 1 d .
O1 O 0.39684(12) 0.51996(10) 0.55888(10) 0.0167(2) Uani 1 1 d .
C1 C 0.61677(18) 0.75130(15) 0.55629(14) 0.0185(3) Uani 1 1 d .
C2 C 0.5865(2) 0.87890(16) 0.56514(15) 0.0238(4) Uani 1 1 d .
H1 H 0.5013 0.9081 0.5267 0.029 Uiso 1 1 calc R
C3 C 0.7053(2) 0.95432(17) 0.64088(16) 0.0276(4) Uani 1 1 d .
H2 H 0.7133 1.0422 0.6619 0.033 Uiso 1 1 calc R
C4 C 0.8100(2) 0.87464(18) 0.67962(16) 0.0275(4) Uani 1 1 d .
H3 H 0.9004 0.9003 0.7310 0.033 Uiso 1 1 calc R
C5 C 0.75602(19) 0.75000(17) 0.62824(15) 0.0228(4) Uani 1 1 d .
H4 H 0.8042 0.6782 0.6397 0.027 Uiso 1 1 calc R
Fe1 Fe 0.61127(3) 0.82974(2) 0.72971(2) 0.01904(9) Uani 1 1 d .
C6 C 0.5765(2) 0.71785(18) 0.85014(16) 0.0309(4) Uani 1 1 d .
H5 H 0.6146 0.6400 0.8533 0.037 Uiso 1 1 calc R
C7 C 0.4406(2) 0.73706(18) 0.78538(16) 0.0292(4) Uani 1 1 d .
H6 H 0.3713 0.6743 0.7378 0.035 Uiso 1 1 calc R
C8 C 0.4260(2) 0.86664(18) 0.80405(18) 0.0324(4) Uani 1 1 d .
H7 H 0.3451 0.9054 0.7710 0.039 Uiso 1 1 calc R
C9 C 0.5531(2) 0.92821(19) 0.88063(17) 0.0333(5) Uani 1 1 d .
H8 H 0.5722 1.0152 0.9074 0.040 Uiso 1 1 calc R
C10 C 0.6465(2) 0.83656(19) 0.91001(16) 0.0334(5) Uani 1 1 d .
H9 H 0.7388 0.8514 0.9603 0.040 Uiso 1 1 calc R
C11 C 0.37394(18) 0.64755(14) 0.32629(14) 0.0165(3) Uani 1 1 d .
C12 C 0.44945(18) 0.67271(15) 0.23304(15) 0.0176(3) Uani 1 1 d .
C13 C 0.37051(18) 0.70117(15) 0.12966(15) 0.0197(3) Uani 1 1 d .
H10 H 0.4216 0.7171 0.0665 0.024 Uiso 1 1 calc R
C14 C 0.21949(18) 0.70686(15) 0.11665(15) 0.0197(3) Uani 1 1 d .
C15 C 0.14688(18) 0.68439(16) 0.21110(15) 0.0200(3) Uani 1 1 d .
H11 H 0.0439 0.6894 0.2039 0.024 Uiso 1 1 calc R
C16 C 0.22082(18) 0.65477(15) 0.31583(14) 0.0179(3) Uani 1 1 d .
C17 C 0.61607(18) 0.67480(16) 0.24174(14) 0.0193(3) Uani 1 1 d .
H12 H 0.6543 0.6466 0.3177 0.023 Uiso 1 1 calc R
C18 C 0.68417(19) 0.80812(17) 0.24849(16) 0.0252(4) Uani 1 1 d .
H13 H 0.7913 0.8092 0.2579 0.038 Uiso 1 1 calc R
H14 H 0.6560 0.8622 0.3170 0.038 Uiso 1 1 calc R
H15 H 0.6485 0.8379 0.1748 0.038 Uiso 1 1 calc R
C19 C 0.66157(19) 0.58643(17) 0.13802(15) 0.0233(4) Uani 1 1 d .
H16 H 0.6215 0.5015 0.1384 0.035 Uiso 1 1 calc R
H17 H 0.7689 0.5901 0.1469 0.035 Uiso 1 1 calc R
H18 H 0.6235 0.6111 0.0623 0.035 Uiso 1 1 calc R
C20 C 0.13868(19) 0.74289(17) 0.00459(15) 0.0231(4) Uani 1 1 d .
H19 H 0.2116 0.7518 -0.0510 0.028 Uiso 1 1 calc R
C21 C 0.0776(2) 0.86861(18) 0.03414(18) 0.0338(5) Uani 1 1 d .
H20 H 0.0001 0.8612 0.0836 0.051 Uiso 1 1 calc R
H21 H 0.0370 0.8950 -0.0401 0.051 Uiso 1 1 calc R
H22 H 0.1566 0.9302 0.0779 0.051 Uiso 1 1 calc R
C22 C 0.0157(2) 0.64603(18) -0.06136(16) 0.0299(4) Uani 1 1 d .
H23 H 0.0547 0.5651 -0.0779 0.045 Uiso 1 1 calc R
H24 H -0.0246 0.6701 -0.1369 0.045 Uiso 1 1 calc R
H25 H -0.0620 0.6407 -0.0117 0.045 Uiso 1 1 calc R
C23 C 0.13803(18) 0.63862(17) 0.41948(15) 0.0219(4) Uani 1 1 d .
H26 H 0.1853 0.5749 0.4608 0.026 Uiso 1 1 calc R
C24 C 0.1549(2) 0.7598(2) 0.51027(19) 0.0413(5) Uani 1 1 d .
H27 H 0.2594 0.7863 0.5366 0.062 Uiso 1 1 calc R
H28 H 0.1080 0.7465 0.5793 0.062 Uiso 1 1 calc R
H29 H 0.1080 0.8241 0.4730 0.062 Uiso 1 1 calc R
C25 C -0.0240(2) 0.59335(19) 0.38191(17) 0.0280(4) Uani 1 1 d .
H30 H -0.0669 0.5771 0.4520 0.042 Uiso 1 1 calc R
H31 H -0.0340 0.5168 0.3225 0.042 Uiso 1 1 calc R
H32 H -0.0755 0.6571 0.3471 0.042 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'
O O 0.0106 0.0060 '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
_geom_angle_site_symmetry_3
O1 Ge1 O1 87.18(5) 2_666 .
O1 Ge1 C1 108.80(6) 2_666 .
O1 Ge1 C1 114.90(6) . .
O1 Ge1 C11 115.39(6) 2_666 .
O1 Ge1 C11 116.15(6) . .
C1 Ge1 C11 112.06(7) . .
O1 Ge1 Ge1 43.61(4) 2_666 2_666
O1 Ge1 Ge1 43.57(3) . 2_666
C1 Ge1 Ge1 120.87(5) . 2_666
C11 Ge1 Ge1 126.89(5) . 2_666
Ge1 O1 Ge1 92.82(5) 2_666 .
C5 C1 C2 106.85(15) . .
C5 C1 Ge1 126.51(13) . .
C2 C1 Ge1 126.63(13) . .
C5 C1 Fe1 69.33(9) . .
C2 C1 Fe1 69.19(9) . .
Ge1 C1 Fe1 125.34(8) . .
C3 C2 C1 108.69(16) . .
C3 C2 Fe1 70.21(10) . .
C1 C2 Fe1 69.57(10) . .
C3 C2 H1 125.7 . .
C1 C2 H1 125.7 . .
Fe1 C2 H1 126.2 . .
C2 C3 C4 107.78(16) . .
C2 C3 Fe1 69.11(10) . .
C4 C3 Fe1 69.65(11) . .
C2 C3 H2 126.1 . .
C4 C3 H2 126.1 . .
Fe1 C3 H2 126.7 . .
C3 C4 C5 108.31(16) . .
C3 C4 Fe1 69.75(11) . .
C5 C4 Fe1 69.20(10) . .
C3 C4 H3 125.8 . .
C5 C4 H3 125.8 . .
Fe1 C4 H3 126.8 . .
C4 C5 C1 108.37(16) . .
C4 C5 Fe1 70.05(10) . .
C1 C5 Fe1 69.57(10) . .
C4 C5 H4 125.8 . .
C1 C5 H4 125.8 . .
Fe1 C5 H4 126.1 . .
C2 Fe1 C10 162.84(8) . .
C2 Fe1 C6 154.82(8) . .
C10 Fe1 C6 41.16(8) . .
C2 Fe1 C5 68.85(7) . .
C10 Fe1 C5 119.39(8) . .
C6 Fe1 C5 106.97(8) . .
C2 Fe1 C9 125.76(8) . .
C10 Fe1 C9 40.79(9) . .
C6 Fe1 C9 68.84(8) . .
C5 Fe1 C9 154.39(8) . .
C2 Fe1 C1 41.24(7) . .
C10 Fe1 C1 154.38(8) . .
C6 Fe1 C1 119.20(7) . .
C5 Fe1 C1 41.11(7) . .
C9 Fe1 C1 163.32(8) . .
C2 Fe1 C8 108.13(8) . .
C10 Fe1 C8 68.42(9) . .
C6 Fe1 C8 68.35(9) . .
C5 Fe1 C8 163.27(8) . .
C9 Fe1 C8 40.64(8) . .
C1 Fe1 C8 125.86(8) . .
C2 Fe1 C4 68.41(8) . .
C10 Fe1 C4 107.17(8) . .
C6 Fe1 C4 125.55(8) . .
C5 Fe1 C4 40.74(7) . .
C9 Fe1 C4 119.85(8) . .
C1 Fe1 C4 68.94(7) . .
C8 Fe1 C4 154.94(8) . .
C2 Fe1 C7 120.49(8) . .
C10 Fe1 C7 68.60(8) . .
C6 Fe1 C7 40.52(8) . .
C5 Fe1 C7 125.64(7) . .
C9 Fe1 C7 68.51(8) . .
C1 Fe1 C7 107.30(7) . .
C8 Fe1 C7 40.56(8) . .
C4 Fe1 C7 162.91(8) . .
C2 Fe1 C3 40.68(7) . .
C10 Fe1 C3 125.34(8) . .
C6 Fe1 C3 162.93(8) . .
C5 Fe1 C3 68.68(8) . .
C9 Fe1 C3 107.52(8) . .
C1 Fe1 C3 69.12(7) . .
C8 Fe1 C3 120.49(8) . .
C4 Fe1 C3 40.59(8) . .
C7 Fe1 C3 155.24(8) . .
C7 C6 C10 107.93(18) . .
C7 C6 Fe1 70.18(11) . .
C10 C6 Fe1 69.41(11) . .
C7 C6 H5 126.0 . .
C10 C6 H5 126.0 . .
Fe1 C6 H5 125.9 . .
C6 C7 C8 108.09(18) . .
C6 C7 Fe1 69.29(11) . .
C8 C7 Fe1 69.69(11) . .
C6 C7 H6 126.0 . .
C8 C7 H6 126.0 . .
Fe1 C7 H6 126.6 . .
C9 C8 C7 108.29(19) . .
C9 C8 Fe1 69.38(11) . .
C7 C8 Fe1 69.74(11) . .
C9 C8 H7 125.9 . .
C7 C8 H7 125.9 . .
Fe1 C8 H7 126.6 . .
C8 C9 C10 107.91(18) . .
C8 C9 Fe1 69.97(10) . .
C10 C9 Fe1 69.48(10) . .
C8 C9 H8 126.0 . .
C10 C9 H8 126.0 . .
Fe1 C9 H8 126.1 . .
C9 C10 C6 107.78(19) . .
C9 C10 Fe1 69.74(11) . .
C6 C10 Fe1 69.42(10) . .
C9 C10 H9 126.1 . .
C6 C10 H9 126.1 . .
Fe1 C10 H9 126.3 . .
C12 C11 C16 119.84(15) . .
C12 C11 Ge1 116.75(12) . .
C16 C11 Ge1 123.37(12) . .
C13 C12 C11 119.28(15) . .
C13 C12 C17 118.10(15) . .
C11 C12 C17 122.58(14) . .
C14 C13 C12 121.85(15) . .
C14 C13 H10 119.1 . .
C12 C13 H10 119.1 . .
C13 C14 C15 118.09(15) . .
C13 C14 C20 120.13(15) . .
C15 C14 C20 121.71(15) . .
C14 C15 C16 122.16(15) . .
C14 C15 H11 118.9 . .
C16 C15 H11 118.9 . .
C15 C16 C11 118.76(15) . .
C15 C16 C23 120.13(15) . .
C11 C16 C23 121.00(14) . .
C12 C17 C19 111.92(14) . .
C12 C17 C18 110.07(14) . .
C19 C17 C18 111.07(14) . .
C12 C17 H12 107.9 . .
C19 C17 H12 107.9 . .
C18 C17 H12 107.9 . .
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 . .
C14 C20 C22 113.43(15) . .
C14 C20 C21 110.74(14) . .
C22 C20 C21 109.75(15) . .
C14 C20 H19 107.6 . .
C22 C20 H19 107.6 . .
C21 C20 H19 107.6 . .
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 . .
C25 C23 C16 114.36(14) . .
C25 C23 C24 109.99(15) . .
C16 C23 C24 110.19(15) . .
C25 C23 H26 107.3 . .
C16 C23 H26 107.3 . .
C24 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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O1 1.8153(11) 2_666
Ge1 O1 1.8169(11) .
Ge1 C1 1.9183(17) .
Ge1 C11 1.9564(16) .
Ge1 Ge1 2.6308(3) 2_666
O1 Ge1 1.8153(11) 2_666
C1 C5 1.432(2) .
C1 C2 1.436(2) .
C1 Fe1 2.0417(16) .
C2 C3 1.421(3) .
C2 Fe1 2.0367(18) .
C2 H1 0.9500 .
C3 C4 1.423(3) .
C3 Fe1 2.0512(18) .
C3 H2 0.9500 .
C4 C5 1.423(3) .
C4 Fe1 2.0499(18) .
C4 H3 0.9500 .
C5 Fe1 2.0386(17) .
C5 H4 0.9500 .
Fe1 C10 2.0382(19) .
Fe1 C6 2.0384(19) .
Fe1 C9 2.0416(18) .
Fe1 C8 2.0494(19) .
Fe1 C7 2.0501(19) .
C6 C7 1.416(3) .
C6 C10 1.433(3) .
C6 H5 0.9500 .
C7 C8 1.421(3) .
C7 H6 0.9500 .
C8 C9 1.421(3) .
C8 H7 0.9500 .
C9 C10 1.422(3) .
C9 H8 0.9500 .
C10 H9 0.9500 .
C11 C12 1.409(2) .
C11 C16 1.412(2) .
C12 C13 1.398(2) .
C12 C17 1.527(2) .
C13 C14 1.389(2) .
C13 H10 0.9500 .
C14 C15 1.397(2) .
C14 C20 1.521(2) .
C15 C16 1.397(2) .
C15 H11 0.9500 .
C16 C23 1.527(2) .
C17 C19 1.531(2) .
C17 C18 1.538(2) .
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 1.525(3) .
C20 C21 1.530(3) .
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 C25 1.525(2) .
C23 C24 1.531(3) .
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 .
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_1
_geom_torsion_site_symmetry_4
O1 Ge1 O1 Ge1 0.001(1) 2_666 2_666
C1 Ge1 O1 Ge1 -109.44(7) . 2_666
C11 Ge1 O1 Ge1 117.01(6) . 2_666
O1 Ge1 C1 C5 -21.94(16) 2_666 .
O1 Ge1 C1 C5 73.84(16) . .
C11 Ge1 C1 C5 -150.74(14) . .
Ge1 Ge1 C1 C5 24.63(17) 2_666 .
O1 Ge1 C1 C2 159.72(14) 2_666 .
O1 Ge1 C1 C2 -104.50(15) . .
C11 Ge1 C1 C2 30.92(17) . .
Ge1 Ge1 C1 C2 -153.72(13) 2_666 .
O1 Ge1 C1 Fe1 -111.16(10) 2_666 .
O1 Ge1 C1 Fe1 -15.39(12) . .
C11 Ge1 C1 Fe1 120.03(10) . .
Ge1 Ge1 C1 Fe1 -64.60(11) 2_666 .
C5 C1 C2 C3 0.1(2) . .
Ge1 C1 C2 C3 178.75(13) . .
Fe1 C1 C2 C3 59.50(13) . .
C5 C1 C2 Fe1 -59.36(12) . .
Ge1 C1 C2 Fe1 119.25(13) . .
C1 C2 C3 C4 0.0(2) . .
Fe1 C2 C3 C4 59.12(13) . .
C1 C2 C3 Fe1 -59.11(12) . .
C2 C3 C4 C5 -0.2(2) . .
Fe1 C3 C4 C5 58.62(13) . .
C2 C3 C4 Fe1 -58.78(13) . .
C3 C4 C5 C1 0.3(2) . .
Fe1 C4 C5 C1 59.21(12) . .
C3 C4 C5 Fe1 -58.96(13) . .
C2 C1 C5 C4 -0.24(19) . .
Ge1 C1 C5 C4 -178.85(12) . .
Fe1 C1 C5 C4 -59.51(12) . .
C2 C1 C5 Fe1 59.27(12) . .
Ge1 C1 C5 Fe1 -119.34(13) . .
C3 C2 Fe1 C10 40.5(3) . .
C1 C2 Fe1 C10 160.4(3) . .
C3 C2 Fe1 C6 -166.48(17) . .
C1 C2 Fe1 C6 -46.6(2) . .
C3 C2 Fe1 C5 -81.49(12) . .
C1 C2 Fe1 C5 38.35(10) . .
C3 C2 Fe1 C9 74.42(14) . .
C1 C2 Fe1 C9 -165.75(11) . .
C3 C2 Fe1 C1 -119.83(16) . .
C3 C2 Fe1 C8 115.99(12) . .
C1 C2 Fe1 C8 -124.17(11) . .
C3 C2 Fe1 C4 -37.59(11) . .
C1 C2 Fe1 C4 82.25(11) . .
C3 C2 Fe1 C7 158.69(11) . .
C1 C2 Fe1 C7 -81.47(12) . .
C1 C2 Fe1 C3 119.83(16) . .
C4 C5 Fe1 C2 81.07(12) . .
C1 C5 Fe1 C2 -38.47(10) . .
C4 C5 Fe1 C10 -82.25(13) . .
C1 C5 Fe1 C10 158.21(10) . .
C4 C5 Fe1 C6 -125.24(12) . .
C1 C5 Fe1 C6 115.22(11) . .
C4 C5 Fe1 C9 -48.9(2) . .
C1 C5 Fe1 C9 -168.44(16) . .
C4 C5 Fe1 C1 119.54(15) . .
C4 C5 Fe1 C8 163.7(3) . .
C1 C5 Fe1 C8 44.2(3) . .
C1 C5 Fe1 C4 -119.54(15) . .
C4 C5 Fe1 C7 -165.85(11) . .
C1 C5 Fe1 C7 74.61(13) . .
C4 C5 Fe1 C3 37.27(11) . .
C1 C5 Fe1 C3 -82.27(11) . .
C5 C1 Fe1 C2 118.34(15) . .
Ge1 C1 Fe1 C2 -120.86(16) . .
C5 C1 Fe1 C10 -48.4(2) . .
C2 C1 Fe1 C10 -166.76(17) . .
Ge1 C1 Fe1 C10 72.4(2) . .
C5 C1 Fe1 C6 -82.42(12) . .
C2 C1 Fe1 C6 159.24(11) . .
Ge1 C1 Fe1 C6 38.38(14) . .
C2 C1 Fe1 C5 -118.34(15) . .
Ge1 C1 Fe1 C5 120.80(15) . .
C5 C1 Fe1 C9 162.4(2) . .
C2 C1 Fe1 C9 44.1(3) . .
Ge1 C1 Fe1 C9 -76.8(3) . .
C5 C1 Fe1 C8 -165.68(11) . .
C2 C1 Fe1 C8 75.98(13) . .
Ge1 C1 Fe1 C8 -44.88(14) . .
C5 C1 Fe1 C4 37.48(11) . .
C2 C1 Fe1 C4 -80.86(12) . .
Ge1 C1 Fe1 C4 158.28(13) . .
C5 C1 Fe1 C7 -124.85(11) . .
C2 C1 Fe1 C7 116.81(11) . .
Ge1 C1 Fe1 C7 -4.05(13) . .
C5 C1 Fe1 C3 81.10(11) . .
C2 C1 Fe1 C3 -37.25(11) . .
Ge1 C1 Fe1 C3 -158.10(13) . .
C3 C4 Fe1 C2 37.67(10) . .
C5 C4 Fe1 C2 -82.23(11) . .
C3 C4 Fe1 C10 -124.74(11) . .
C5 C4 Fe1 C10 115.36(12) . .
C3 C4 Fe1 C6 -166.35(10) . .
C5 C4 Fe1 C6 73.76(13) . .
C3 C4 Fe1 C5 119.89(15) . .
C3 C4 Fe1 C9 -82.17(13) . .
C5 C4 Fe1 C9 157.94(11) . .
C3 C4 Fe1 C1 82.09(11) . .
C5 C4 Fe1 C1 -37.80(10) . .
C3 C4 Fe1 C8 -49.1(2) . .
C5 C4 Fe1 C8 -169.00(17) . .
C3 C4 Fe1 C7 162.4(2) . .
C5 C4 Fe1 C7 42.5(3) . .
C5 C4 Fe1 C3 -119.89(15) . .
C4 C3 Fe1 C2 -119.35(15) . .
C2 C3 Fe1 C10 -166.40(11) . .
C4 C3 Fe1 C10 74.25(13) . .
C2 C3 Fe1 C6 160.2(2) . .
C4 C3 Fe1 C6 40.8(3) . .
C2 C3 Fe1 C5 81.95(12) . .
C4 C3 Fe1 C5 -37.40(10) . .
C2 C3 Fe1 C9 -124.95(12) . .
C4 C3 Fe1 C9 115.70(11) . .
C2 C3 Fe1 C1 37.74(11) . .
C4 C3 Fe1 C1 -81.61(11) . .
C2 C3 Fe1 C8 -82.46(13) . .
C4 C3 Fe1 C8 158.19(11) . .
C2 C3 Fe1 C4 119.35(15) . .
C2 C3 Fe1 C7 -48.4(2) . .
C4 C3 Fe1 C7 -167.75(15) . .
C2 Fe1 C6 C7 -49.2(2) . .
C10 Fe1 C6 C7 119.01(17) . .
C5 Fe1 C6 C7 -125.50(11) . .
C9 Fe1 C6 C7 81.27(12) . .
C1 Fe1 C6 C7 -82.54(12) . .
C8 Fe1 C6 C7 37.47(11) . .
C4 Fe1 C6 C7 -166.43(10) . .
C3 Fe1 C6 C7 162.0(2) . .
C2 Fe1 C6 C10 -168.25(17) . .
C5 Fe1 C6 C10 115.49(13) . .
C9 Fe1 C6 C10 -37.74(13) . .
C1 Fe1 C6 C10 158.45(12) . .
C8 Fe1 C6 C10 -81.54(13) . .
C4 Fe1 C6 C10 74.56(14) . .
C7 Fe1 C6 C10 -119.01(17) . .
C3 Fe1 C6 C10 43.0(3) . .
C10 C6 C7 C8 0.3(2) . .
Fe1 C6 C7 C8 -59.09(13) . .
C10 C6 C7 Fe1 59.37(13) . .
C2 Fe1 C7 C6 158.04(11) . .
C10 Fe1 C7 C6 -38.19(12) . .
C5 Fe1 C7 C6 73.38(13) . .
C9 Fe1 C7 C6 -82.16(12) . .
C1 Fe1 C7 C6 114.98(11) . .
C8 Fe1 C7 C6 -119.59(16) . .
C4 Fe1 C7 C6 40.5(3) . .
C3 Fe1 C7 C6 -167.51(16) . .
C2 Fe1 C7 C8 -82.38(13) . .
C10 Fe1 C7 C8 81.40(13) . .
C6 Fe1 C7 C8 119.59(16) . .
C5 Fe1 C7 C8 -167.04(12) . .
C9 Fe1 C7 C8 37.43(13) . .
C1 Fe1 C7 C8 -125.44(12) . .
C4 Fe1 C7 C8 160.1(2) . .
C3 Fe1 C7 C8 -47.9(2) . .
C6 C7 C8 C9 0.0(2) . .
Fe1 C7 C8 C9 -58.85(13) . .
C6 C7 C8 Fe1 58.84(13) . .
C2 Fe1 C8 C9 -124.24(12) . .
C10 Fe1 C8 C9 37.87(13) . .
C6 Fe1 C8 C9 82.31(13) . .
C5 Fe1 C8 C9 159.0(2) . .
C1 Fe1 C8 C9 -166.54(11) . .
C4 Fe1 C8 C9 -46.6(2) . .
C7 Fe1 C8 C9 119.75(18) . .
C3 Fe1 C8 C9 -81.40(14) . .
C2 Fe1 C8 C7 116.01(12) . .
C10 Fe1 C8 C7 -81.87(13) . .
C6 Fe1 C8 C7 -37.44(12) . .
C5 Fe1 C8 C7 39.3(3) . .
C9 Fe1 C8 C7 -119.75(18) . .
C1 Fe1 C8 C7 73.71(14) . .
C4 Fe1 C8 C7 -166.34(17) . .
C3 Fe1 C8 C7 158.86(11) . .
C7 C8 C9 C10 -0.3(2) . .
Fe1 C8 C9 C10 -59.34(13) . .
C7 C8 C9 Fe1 59.08(13) . .
C2 Fe1 C9 C8 75.51(15) . .
C10 Fe1 C9 C8 -119.07(18) . .
C6 Fe1 C9 C8 -81.00(13) . .
C5 Fe1 C9 C8 -166.23(16) . .
C1 Fe1 C9 C8 41.1(3) . .
C4 Fe1 C9 C8 159.22(12) . .
C7 Fe1 C9 C8 -37.35(13) . .
C3 Fe1 C9 C8 116.69(13) . .
C2 Fe1 C9 C10 -165.42(12) . .
C6 Fe1 C9 C10 38.07(12) . .
C5 Fe1 C9 C10 -47.2(2) . .
C1 Fe1 C9 C10 160.2(2) . .
C8 Fe1 C9 C10 119.07(18) . .
C4 Fe1 C9 C10 -81.70(14) . .
C7 Fe1 C9 C10 81.72(13) . .
C3 Fe1 C9 C10 -124.24(12) . .
C8 C9 C10 C6 0.4(2) . .
Fe1 C9 C10 C6 -59.21(13) . .
C8 C9 C10 Fe1 59.65(13) . .
C7 C6 C10 C9 -0.4(2) . .
Fe1 C6 C10 C9 59.41(13) . .
C7 C6 C10 Fe1 -59.86(13) . .
C2 Fe1 C10 C9 43.8(3) . .
C6 Fe1 C10 C9 -119.10(18) . .
C5 Fe1 C10 C9 158.67(11) . .
C1 Fe1 C10 C9 -166.97(15) . .
C8 Fe1 C10 C9 -37.75(12) . .
C4 Fe1 C10 C9 116.07(12) . .
C7 Fe1 C10 C9 -81.49(13) . .
C3 Fe1 C10 C9 75.12(15) . .
C2 Fe1 C10 C6 162.9(2) . .
C5 Fe1 C10 C6 -82.23(14) . .
C9 Fe1 C10 C6 119.10(18) . .
C1 Fe1 C10 C6 -47.9(2) . .
C8 Fe1 C10 C6 81.35(13) . .
C4 Fe1 C10 C6 -124.83(13) . .
C7 Fe1 C10 C6 37.61(12) . .
C3 Fe1 C10 C6 -165.79(12) . .
O1 Ge1 C11 C12 -56.57(14) 2_666 .
O1 Ge1 C11 C12 -156.50(11) . .
C1 Ge1 C11 C12 68.68(14) . .
Ge1 Ge1 C11 C12 -106.35(12) 2_666 .
O1 Ge1 C11 C16 125.63(13) 2_666 .
O1 Ge1 C11 C16 25.71(15) . .
C1 Ge1 C11 C16 -109.12(14) . .
Ge1 Ge1 C11 C16 75.86(14) 2_666 .
C16 C11 C12 C13 -1.8(2) . .
Ge1 C11 C12 C13 -179.67(12) . .
C16 C11 C12 C17 175.96(15) . .
Ge1 C11 C12 C17 -1.9(2) . .
C11 C12 C13 C14 0.8(3) . .
C17 C12 C13 C14 -177.07(15) . .
C12 C13 C14 C15 0.6(3) . .
C12 C13 C14 C20 177.71(15) . .
C13 C14 C15 C16 -1.1(3) . .
C20 C14 C15 C16 -178.10(15) . .
C14 C15 C16 C11 0.1(2) . .
C14 C15 C16 C23 176.35(16) . .
C12 C11 C16 C15 1.4(2) . .
Ge1 C11 C16 C15 179.11(12) . .
C12 C11 C16 C23 -174.87(15) . .
Ge1 C11 C16 C23 2.9(2) . .
C13 C12 C17 C19 -57.4(2) . .
C11 C12 C17 C19 124.78(17) . .
C13 C12 C17 C18 66.58(19) . .
C11 C12 C17 C18 -111.20(18) . .
C13 C14 C20 C22 123.43(18) . .
C15 C14 C20 C22 -59.6(2) . .
C13 C14 C20 C21 -112.66(19) . .
C15 C14 C20 C21 64.3(2) . .
C15 C16 C23 C25 29.0(2) . .
C11 C16 C23 C25 -154.77(16) . .
C15 C16 C23 C24 -95.4(2) . .
C11 C16 C23 C24 80.7(2) . .
