data_10
_audit_creation_date               2025-07-17
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C75 H89 Fe Ge N O3, 1(C6 H14)'
_chemical_formula_sum              'C81 H103 Fe Ge N O3'
_chemical_formula_weight           1267.08
_chemical_melting_point            ?
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'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     17.0615(12)
_cell_length_b                     17.4435(11)
_cell_length_c                     23.7614(15)
_cell_angle_alpha                  90
_cell_angle_beta                   99.269(3)
_cell_angle_gamma                  90
_cell_volume                       6979.3(8)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9958
_cell_measurement_temperature      120.00
_cell_measurement_theta_max        25.44
_cell_measurement_theta_min        2.27
_shelx_estimated_absorpt_T_max     0.941
_shelx_estimated_absorpt_T_min     0.916
_exptl_absorpt_coefficient_mu      0.687
_exptl_absorpt_correction_T_max    0.2571
_exptl_absorpt_correction_T_min    0.2323
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0920 before and 0.0776 after correction.
The Ratio of minimum to maximum transmission is 0.9035.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'brownish brown'
_exptl_crystal_colour_modifier     brownish
_exptl_crystal_colour_primary      brown
_exptl_crystal_density_diffrn      1.206
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               2712
_exptl_crystal_size_max            0.13
_exptl_crystal_size_mid            0.11
_exptl_crystal_size_min            0.09
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0956
_diffrn_reflns_av_unetI/netI       0.0594
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.997
_diffrn_reflns_limit_h_max         21
_diffrn_reflns_limit_h_min         -21
_diffrn_reflns_limit_k_max         21
_diffrn_reflns_limit_k_min         -21
_diffrn_reflns_limit_l_max         29
_diffrn_reflns_limit_l_min         -28
_diffrn_reflns_number              136238
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.997
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.384
_diffrn_reflns_theta_min           2.273
_diffrn_ambient_temperature        120.00
_diffrn_detector                   CPAD
_diffrn_detector_area_resol_mean   7.41
_diffrn_detector_type              'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.997
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method         'ω and φ shutterless scans'
_diffrn_measurement_specimen_support  'nylon loop'
_diffrn_radiation_monochromator    'Helios Multi-layer Optic'
_diffrn_radiation_probe            X-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Turbo X-Ray Source (TXS)'
_diffrn_source_current             1.0
_diffrn_source_power               0.05
_diffrn_source_type                'Rotaing Anode'
_diffrn_source_voltage             50.0
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  10106
_reflns_number_total               14247
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.41 (Bruker, 2024)'
_computing_data_collection         'APEX6 V2024.9-1 (Bruker, 2024)'
_computing_data_reduction          'SAINT V8.41 (Bruker, 2024)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max           0.931
_refine_diff_density_min           -0.808
_refine_diff_density_rms           0.076
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.051
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       863
_refine_ls_number_reflns           14247
_refine_ls_number_restraints       71
_refine_ls_R_factor_all            0.0835
_refine_ls_R_factor_gt             0.0519
_refine_ls_restrained_S_all        1.051
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0647P)²+8.9154P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1320
_refine_ls_wR_factor_ref           0.1434
_refine_special_details           
 'In the structure, n-hexane solvent exhibit a positional disorder over two positions, they were separated using PART instruction and refined using a free variable (FVAR). RESI, DFIX, SAME, RIGU and SIMU instructions were applied make the shape, position and anisotropic displacement parameters in a reasonable range, the final occupancies of 0.544(7):0.456(7) have been determined for PART 1 and PART 2, respectively.'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C6_1-C5_1
 C6_2-C5_2
 1.5 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C6_2 \\sim C6_1: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
4. Rigid body (RIGU) restrains
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Same fragment restrains
{C1_2, C2_2, C3_2, C4_2, C5_2, C6_2}
as
{C1_1, C2_1, C3_1, C4_1, C5_1, C6_1} sigma for 1-2: 0.01 1-3: 0.02
6. Others
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(C6)=Sof(H6A)=
 Sof(H6B)=Sof(H6C)=1-FVAR(1)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(C6)=Sof(H6A)=
 Sof(H6B)=Sof(H6C)=FVAR(1)
7.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C18(H18A,H18B), C19(H19A,H19B), C32(H32A,H32B), C33(H33A,H33B),
 C41(H41A,H41B), C51(H51A,H51B), C52(H52A,H52B), C65(H65A,H65B), C66(H66A,H66B),
  C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C2(H2A,H2B), C3(H3A,H3B),
 C4(H4A,H4B), C5(H5A,H5B)
7.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C13(H13), C24(H24), C27(H27), C38(H38), C46(H46), C57(H57), C60(H60),
 C71(H71)
7.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C30(H30A,H30B,H30C), C31(H31A,
 H31B,H31C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C43(H43A,H43B,H43C),
 C44(H44A,H44B,H44C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), C54(H54A,H54B,
 H54C), C55(H55A,H55B,H55C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C68(H68A,
 H68B,H68C), C69(H69A,H69B,H69C), C1(H1A,H1B,H1C), C6(H6A,H6B,H6C), C1(H1A,H1B,
 H1C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Ge1 Ge 0.77747(2) 0.46262(2) 0.28950(2) 0.02719(11) Uani 1 1 d . . . . .
 Fe1 Fe 0.69055(3) 0.36045(2) 0.30552(2) 0.02092(12) Uani 1 1 d . . . . .
 O1 O 0.62652(16) 0.23533(16) 0.36985(12) 0.0469(7) Uani 1 1 d . . . . .
 O2 O 0.54465(15) 0.44776(16) 0.27478(10) 0.0434(7) Uani 1 1 d . . . . .
 O3 O 0.65975(15) 0.29738(15) 0.19102(10) 0.0397(6) Uani 1 1 d . . . . .
 N1 N 0.78620(14) 0.39193(13) 0.34558(10) 0.0159(5) Uani 1 1 d . . . . .
 C1 C 0.84226(15) 0.37607(14) 0.39534(11) 0.0099(5) Uani 1 1 d . . . . .
 C2 C 0.83833(16) 0.41432(14) 0.44674(11) 0.0112(5) Uani 1 1 d . . . . .
 C3 C 0.89410(15) 0.39908(14) 0.49534(11) 0.0103(5) Uani 1 1 d . . . . .
 C4 C 0.95517(16) 0.34674(15) 0.49363(11) 0.0116(5) Uani 1 1 d . . . . .
 H4 H 0.992634 0.336276 0.526845 0.014 Uiso 1 1 calc R U . . .
 C5 C 0.96041(15) 0.31006(14) 0.44251(11) 0.0112(5) Uani 1 1 d . . . . .
 C6 C 0.90413(15) 0.32347(14) 0.39423(11) 0.0100(5) Uani 1 1 d . . . . .
 C7 C 0.91895(16) 0.27376(15) 0.34461(11) 0.0113(5) Uani 1 1 d . . . . .
 C8 C 1.00489(15) 0.24307(16) 0.36540(11) 0.0127(6) Uani 1 1 d . . . . .
 H8A H 1.007719 0.187803 0.356465 0.015 Uiso 1 1 calc R U . . .
 H8B H 1.043258 0.270753 0.345685 0.015 Uiso 1 1 calc R U . . .
 C9 C 1.02585(16) 0.25569(15) 0.43083(11) 0.0129(6) Uani 1 1 d . . . . .
 C10 C 1.02601(17) 0.17997(15) 0.46426(12) 0.0150(6) Uani 1 1 d . . . . .
 H10A H 0.975118 0.153690 0.453082 0.022 Uiso 1 1 calc R U . . .
 H10B H 1.033832 0.190936 0.505228 0.022 Uiso 1 1 calc R U . . .
 H10C H 1.069195 0.147126 0.455712 0.022 Uiso 1 1 calc R U . . .
 C11 C 1.10802(16) 0.29369(16) 0.44546(12) 0.0170(6) Uani 1 1 d . . . . .
 H11A H 1.119901 0.303269 0.486594 0.026 Uiso 1 1 calc R U . . .
 H11B H 1.107990 0.342374 0.424879 0.026 Uiso 1 1 calc R U . . .
 H11C H 1.148481 0.259618 0.434231 0.026 Uiso 1 1 calc R U . . .
 C12 C 0.85809(15) 0.20939(15) 0.33096(11) 0.0112(5) Uani 1 1 d . . . . .
 C13 C 0.83192(16) 0.15677(15) 0.36686(11) 0.0126(6) Uani 1 1 d . . . . .
 H13 H 0.851530 0.159215 0.406576 0.015 Uiso 1 1 calc R U . . .
 C14 C 0.77693(16) 0.09956(15) 0.34619(11) 0.0123(6) Uani 1 1 d . . . . .
 C15 C 0.75507(17) 0.03967(15) 0.38850(12) 0.0151(6) Uani 1 1 d . . . . .
 C16 C 0.82994(17) 0.00770(16) 0.42595(12) 0.0184(6) Uani 1 1 d . . . . .
 H16A H 0.815163 -0.034956 0.448953 0.028 Uiso 1 1 calc R U . . .
 H16B H 0.855102 0.048230 0.451181 0.028 Uiso 1 1 calc R U . . .
 H16C H 0.867247 -0.010516 0.401575 0.028 Uiso 1 1 calc R U . . .
 C17 C 0.70227(19) 0.07663(18) 0.42773(13) 0.0241(7) Uani 1 1 d . . . . .
 H17A H 0.652673 0.094416 0.404812 0.036 Uiso 1 1 calc R U . . .
 H17B H 0.730221 0.120265 0.447779 0.036 Uiso 1 1 calc R U . . .
 H17C H 0.690272 0.038765 0.455604 0.036 Uiso 1 1 calc R U . . .
 C18 C 0.71218(18) -0.02814(16) 0.35554(12) 0.0197(6) Uani 1 1 d . . . . .
 H18A H 0.751038 -0.058709 0.338253 0.024 Uiso 1 1 calc R U . . .
 H18B H 0.689383 -0.061660 0.382385 0.024 Uiso 1 1 calc R U . . .
 C19 C 0.64643(18) -0.00133(17) 0.30904(13) 0.0210(7) Uani 1 1 d . . . . .
 H19A H 0.609343 0.031763 0.326090 0.025 Uiso 1 1 calc R U . . .
 H19B H 0.616295 -0.046399 0.291946 0.025 Uiso 1 1 calc R U . . .
 C20 C 0.67864(17) 0.04342(16) 0.26206(12) 0.0164(6) Uani 1 1 d . . . . .
 C21 C 0.7112(2) -0.01297(18) 0.22174(13) 0.0254(7) Uani 1 1 d . . . . .
 H21A H 0.754349 -0.043111 0.243326 0.038 Uiso 1 1 calc R U . . .
 H21B H 0.731351 0.015693 0.191606 0.038 Uiso 1 1 calc R U . . .
 H21C H 0.668569 -0.047425 0.204583 0.038 Uiso 1 1 calc R U . . .
 C22 C 0.60863(18) 0.08821(19) 0.22847(14) 0.0279(7) Uani 1 1 d . . . . .
 H22A H 0.564967 0.052793 0.215182 0.042 Uiso 1 1 calc R U . . .
 H22B H 0.625776 0.113262 0.195598 0.042 Uiso 1 1 calc R U . . .
 H22C H 0.590537 0.127100 0.253241 0.042 Uiso 1 1 calc R U . . .
 C23 C 0.74419(16) 0.09904(15) 0.28776(11) 0.0129(6) Uani 1 1 d . . . . .
 C24 C 0.77180(16) 0.15258(15) 0.25133(11) 0.0133(6) Uani 1 1 d . . . . .
 H24 H 0.751671 0.151299 0.211662 0.016 Uiso 1 1 calc R U . . .
 C25 C 0.82788(16) 0.20720(15) 0.27232(11) 0.0119(5) Uani 1 1 d . . . . .
 C26 C 0.86377(16) 0.27096(15) 0.24464(11) 0.0121(6) Uani 1 1 d . . . . .
 C27 C 0.85442(16) 0.29517(15) 0.18855(11) 0.0144(6) Uani 1 1 d . . . . .
 H27 H 0.820928 0.266999 0.160027 0.017 Uiso 1 1 calc R U . . .
 C28 C 0.89370(16) 0.36084(15) 0.17307(11) 0.0135(6) Uani 1 1 d . . . . .
 C29 C 0.88033(18) 0.38525(16) 0.11025(11) 0.0178(6) Uani 1 1 d . . . . .
 C30 C 0.88042(19) 0.31634(18) 0.07042(12) 0.0226(7) Uani 1 1 d . . . . .
 H30A H 0.929354 0.286818 0.081437 0.034 Uiso 1 1 calc R U . . .
 H30B H 0.877500 0.334346 0.031074 0.034 Uiso 1 1 calc R U . . .
 H30C H 0.834451 0.283709 0.073250 0.034 Uiso 1 1 calc R U . . .
 C31 C 0.79901(19) 0.42520(19) 0.09708(13) 0.0261(7) Uani 1 1 d . . . . .
 H31A H 0.757439 0.389929 0.105033 0.039 Uiso 1 1 calc R U . . .
 H31B H 0.788687 0.440135 0.056809 0.039 Uiso 1 1 calc R U . . .
 H31C H 0.799126 0.470961 0.121018 0.039 Uiso 1 1 calc R U . . .
 C32 C 0.94798(19) 0.43883(17) 0.09927(12) 0.0223(7) Uani 1 1 d . . . . .
 H32A H 0.997403 0.408588 0.100949 0.027 Uiso 1 1 calc R U . . .
 H32B H 0.934786 0.460586 0.060416 0.027 Uiso 1 1 calc R U . . .
 C33 C 0.96236(19) 0.50385(17) 0.14208(12) 0.0217(7) Uani 1 1 d . . . . .
 H33A H 0.912891 0.533989 0.140542 0.026 Uiso 1 1 calc R U . . .
 H33B H 1.003700 0.538303 0.131432 0.026 Uiso 1 1 calc R U . . .
 C34 C 0.98886(18) 0.47506(16) 0.20335(12) 0.0173(6) Uani 1 1 d . . . . .
 C35 C 1.07792(18) 0.45593(18) 0.21253(14) 0.0250(7) Uani 1 1 d . . . . .
 H35A H 1.088006 0.416529 0.185177 0.037 Uiso 1 1 calc R U . . .
 H35B H 1.094328 0.436842 0.251434 0.037 Uiso 1 1 calc R U . . .
 H35C H 1.108238 0.502221 0.206833 0.037 Uiso 1 1 calc R U . . .
 C36 C 0.9757(2) 0.54079(17) 0.24345(13) 0.0263(7) Uani 1 1 d . . . . .
 H36A H 1.002147 0.587102 0.232536 0.039 Uiso 1 1 calc R U . . .
 H36B H 0.997987 0.526798 0.282726 0.039 Uiso 1 1 calc R U . . .
 H36C H 0.918702 0.550572 0.240775 0.039 Uiso 1 1 calc R U . . .
 C37 C 0.94270(16) 0.40312(15) 0.21555(12) 0.0137(6) Uani 1 1 d . . . . .
 C38 C 0.95191(16) 0.37696(15) 0.27235(11) 0.0134(6) Uani 1 1 d . . . . .
 H38 H 0.985130 0.404656 0.301310 0.016 Uiso 1 1 calc R U . . .
 C39 C 0.91384(15) 0.31231(15) 0.28658(11) 0.0110(5) Uani 1 1 d . . . . .
 C40 C 0.77596(16) 0.47260(14) 0.45861(11) 0.0118(5) Uani 1 1 d . . . . .
 C41 C 0.81447(16) 0.50381(16) 0.51865(11) 0.0140(6) Uani 1 1 d . . . . .
 H41A H 0.838285 0.554833 0.514489 0.017 Uiso 1 1 calc R U . . .
 H41B H 0.773289 0.509329 0.543349 0.017 Uiso 1 1 calc R U . . .
 C42 C 0.87959(16) 0.44687(15) 0.54623(11) 0.0121(5) Uani 1 1 d . . . . .
 C43 C 0.95472(16) 0.49068(16) 0.57311(11) 0.0147(6) Uani 1 1 d . . . . .
 H43A H 0.994939 0.454137 0.590767 0.022 Uiso 1 1 calc R U . . .
 H43B H 0.941436 0.526064 0.602195 0.022 Uiso 1 1 calc R U . . .
 H43C H 0.975613 0.519727 0.543476 0.022 Uiso 1 1 calc R U . . .
 C44 C 0.85285(18) 0.39759(16) 0.59337(12) 0.0182(6) Uani 1 1 d . . . . .
 H44A H 0.803907 0.370285 0.577913 0.027 Uiso 1 1 calc R U . . .
 H44B H 0.843107 0.430685 0.624853 0.027 Uiso 1 1 calc R U . . .
 H44C H 0.894511 0.360415 0.607391 0.027 Uiso 1 1 calc R U . . .
 C45 C 0.69396(16) 0.43680(15) 0.45756(11) 0.0114(5) Uani 1 1 d . . . . .
 C46 C 0.67113(16) 0.37512(15) 0.48742(11) 0.0129(6) Uani 1 1 d . . . . .
 H46 H 0.710592 0.346271 0.511167 0.016 Uiso 1 1 calc R U . . .
 C47 C 0.59122(16) 0.35387(15) 0.48363(11) 0.0131(6) Uani 1 1 d . . . . .
 C48 C 0.57049(17) 0.29041(16) 0.52323(12) 0.0174(6) Uani 1 1 d . . . . .
 C49 C 0.6277(2) 0.22208(17) 0.52521(15) 0.0289(8) Uani 1 1 d . . . . .
 H49A H 0.610848 0.181549 0.549219 0.043 Uiso 1 1 calc R U . . .
 H49B H 0.681550 0.238729 0.541157 0.043 Uiso 1 1 calc R U . . .
 H49C H 0.627127 0.202365 0.486531 0.043 Uiso 1 1 calc R U . . .
 C50 C 0.5770(2) 0.32403(19) 0.58344(13) 0.0267(7) Uani 1 1 d . . . . .
 H50A H 0.539641 0.366803 0.583048 0.040 Uiso 1 1 calc R U . . .
 H50B H 0.631208 0.342452 0.596056 0.040 Uiso 1 1 calc R U . . .
 H50C H 0.564168 0.284307 0.609681 0.040 Uiso 1 1 calc R U . . .
 C51 C 0.48582(18) 0.26049(18) 0.50353(14) 0.0248(7) Uani 1 1 d . . . . .
 H51A H 0.485720 0.226803 0.469987 0.030 Uiso 1 1 calc R U . . .
 H51B H 0.469339 0.229261 0.534397 0.030 Uiso 1 1 calc R U . . .
 C52 C 0.42600(18) 0.32470(19) 0.48791(13) 0.0246(7) Uani 1 1 d . . . . .
 H52A H 0.425816 0.358225 0.521505 0.030 Uiso 1 1 calc R U . . .
 H52B H 0.372270 0.302295 0.477757 0.030 Uiso 1 1 calc R U . . .
 C53 C 0.44446(16) 0.37293(16) 0.43812(12) 0.0161(6) Uani 1 1 d . . . . .
 C54 C 0.42605(18) 0.32760(18) 0.38188(13) 0.0232(7) Uani 1 1 d . . . . .
 H54A H 0.457129 0.280097 0.385135 0.035 Uiso 1 1 calc R U . . .
 H54B H 0.440008 0.358687 0.350594 0.035 Uiso 1 1 calc R U . . .
 H54C H 0.369319 0.315173 0.374139 0.035 Uiso 1 1 calc R U . . .
 C55 C 0.39085(17) 0.44402(18) 0.43356(13) 0.0227(7) Uani 1 1 d . . . . .
 H55A H 0.335298 0.427995 0.430742 0.034 Uiso 1 1 calc R U . . .
 H55B H 0.397579 0.473413 0.399521 0.034 Uiso 1 1 calc R U . . .
 H55C H 0.405427 0.476046 0.467521 0.034 Uiso 1 1 calc R U . . .
 C56 C 0.53279(16) 0.39487(15) 0.44692(11) 0.0127(6) Uani 1 1 d . . . . .
 C57 C 0.55663(16) 0.45594(15) 0.41540(11) 0.0138(6) Uani 1 1 d . . . . .
 H57 H 0.518029 0.483210 0.389736 0.017 Uiso 1 1 calc R U . . .
 C58 C 0.63590(16) 0.47716(15) 0.42115(11) 0.0130(6) Uani 1 1 d . . . . .
 C59 C 0.67414(16) 0.53958(15) 0.39478(11) 0.0137(6) Uani 1 1 d . . . . .
 C60 C 0.64248(17) 0.59462(16) 0.35590(12) 0.0163(6) Uani 1 1 d . . . . .
 H60 H 0.587117 0.594329 0.341804 0.020 Uiso 1 1 calc R U . . .
 C61 C 0.69063(17) 0.65087(16) 0.33691(12) 0.0167(6) Uani 1 1 d . . . . .
 C62 C 0.65054(19) 0.70681(17) 0.29124(13) 0.0229(7) Uani 1 1 d . . . . .
 C63 C 0.6249(2) 0.6611(2) 0.23593(14) 0.0356(9) Uani 1 1 d . . . . .
 H63A H 0.595468 0.694684 0.206910 0.053 Uiso 1 1 calc R U . . .
 H63B H 0.590899 0.618255 0.243497 0.053 Uiso 1 1 calc R U . . .
 H63C H 0.672093 0.641114 0.222168 0.053 Uiso 1 1 calc R U . . .
 C64 C 0.5764(2) 0.7434(2) 0.30920(16) 0.0364(9) Uani 1 1 d . . . . .
 H64A H 0.554352 0.781650 0.280812 0.055 Uiso 1 1 calc R U . . .
 H64B H 0.590977 0.768231 0.346410 0.055 Uiso 1 1 calc R U . . .
 H64C H 0.536603 0.703595 0.311841 0.055 Uiso 1 1 calc R U . . .
 C65 C 0.70671(19) 0.77142(18) 0.28007(14) 0.0289(8) Uani 1 1 d . . . . .
 H65A H 0.687804 0.793369 0.241873 0.035 Uiso 1 1 calc R U . . .
 H65B H 0.704702 0.812519 0.308533 0.035 Uiso 1 1 calc R U . . .
 C66 C 0.79220(19) 0.74569(19) 0.28285(13) 0.0279(8) Uani 1 1 d . . . . .
 H66A H 0.824637 0.789613 0.273646 0.033 Uiso 1 1 calc R U . . .
 H66B H 0.794730 0.705376 0.253870 0.033 Uiso 1 1 calc R U . . .
 C67 C 0.82703(17) 0.71443(16) 0.34179(12) 0.0170(6) Uani 1 1 d . . . . .
 C68 C 0.91160(19) 0.68508(19) 0.33852(14) 0.0286(7) Uani 1 1 d . . . . .
 H68A H 0.941644 0.725272 0.322581 0.043 Uiso 1 1 calc R U . . .
 H68B H 0.908294 0.639600 0.314034 0.043 Uiso 1 1 calc R U . . .
 H68C H 0.938504 0.671737 0.376867 0.043 Uiso 1 1 calc R U . . .
 C69 C 0.8336(2) 0.77748(17) 0.38741(13) 0.0263(7) Uani 1 1 d . . . . .
 H69A H 0.866800 0.819319 0.376903 0.039 Uiso 1 1 calc R U . . .
 H69B H 0.857772 0.756224 0.424332 0.039 Uiso 1 1 calc R U . . .
 H69C H 0.780569 0.797153 0.390104 0.039 Uiso 1 1 calc R U . . .
 C70 C 0.77263(17) 0.65088(15) 0.35838(11) 0.0150(6) Uani 1 1 d . . . . .
 C71 C 0.80386(16) 0.59384(15) 0.39766(11) 0.0134(6) Uani 1 1 d . . . . .
 H71 H 0.859096 0.593739 0.412169 0.016 Uiso 1 1 calc R U . . .
 C72 C 0.75599(16) 0.53813(15) 0.41551(11) 0.0123(6) Uani 1 1 d . . . . .
 C73 C 0.6020(2) 0.4125(2) 0.28721(13) 0.0285(8) Uani 1 1 d . . . . .
 C74 C 0.6585(2) 0.28333(19) 0.34815(14) 0.0285(8) Uani 1 1 d . . . . .
 C75 C 0.67052(19) 0.32162(19) 0.23660(14) 0.0278(7) Uani 1 1 d . . . . .
 C1_1 C 0.7247(6) 0.6419(6) 0.0300(5) 0.069(3) Uani 0.544(7) 1 d D . P A 1
 H1A_1 H 0.727846 0.649055 -0.010439 0.104 Uiso 0.544(7) 1 calc R U P A 1
 H1B_1 H 0.773780 0.617965 0.049239 0.104 Uiso 0.544(7) 1 calc R U P A 1
 H1C_1 H 0.717784 0.691805 0.047561 0.104 Uiso 0.544(7) 1 calc R U P A 1
 C2_1 C 0.6555(5) 0.5914(5) 0.0358(3) 0.048(2) Uani 0.544(7) 1 d D . P A 1
 H2A_1 H 0.669345 0.537733 0.027934 0.057 Uiso 0.544(7) 1 calc R U P A 1
 H2B_1 H 0.609805 0.606463 0.006802 0.057 Uiso 0.544(7) 1 calc R U P A 1
 C3_1 C 0.6306(5) 0.5952(5) 0.0951(4) 0.049(2) Uani 0.544(7) 1 d D . P A 1
 H3A_1 H 0.675460 0.576367 0.123456 0.059 Uiso 0.544(7) 1 calc R U P A 1
 H3B_1 H 0.621932 0.649647 0.104076 0.059 Uiso 0.544(7) 1 calc R U P A 1
 C4_1 C 0.5566(6) 0.5502(5) 0.1028(5) 0.069(3) Uani 0.544(7) 1 d D . P A 1
 H4A_1 H 0.536663 0.568750 0.137269 0.083 Uiso 0.544(7) 1 calc R U P A 1
 H4B_1 H 0.514540 0.558973 0.069529 0.083 Uiso 0.544(7) 1 calc R U P A 1
 C5_1 C 0.5739(6) 0.4663(5) 0.1086(6) 0.092(4) Uani 0.544(7) 1 d D . P A 1
 H5A_1 H 0.591544 0.447925 0.073299 0.111 Uiso 0.544(7) 1 calc R U P A 1
 H5B_1 H 0.618336 0.458504 0.140442 0.111 Uiso 0.544(7) 1 calc R U P A 1
 C6_1 C 0.5055(8) 0.4190(7) 0.1193(7) 0.059(3) Uani 0.544(7) 1 d D U P A 1
 H6A_1 H 0.459348 0.430330 0.090273 0.089 Uiso 0.544(7) 1 calc R U P A 1
 H6B_1 H 0.492963 0.430946 0.157156 0.089 Uiso 0.544(7) 1 calc R U P A 1
 H6C_1 H 0.519111 0.364592 0.117519 0.089 Uiso 0.544(7) 1 calc R U P A 1
 C1_2 C 0.7714(6) 0.6439(6) 0.1238(4) 0.066(3) Uani 0.456(7) 1 d D . P A 2
 H1A_2 H 0.827450 0.654282 0.122170 0.099 Uiso 0.456(7) 1 calc R U P A 2
 H1B_2 H 0.767329 0.600486 0.149294 0.099 Uiso 0.456(7) 1 calc R U P A 2
 H1C_2 H 0.747144 0.689320 0.138096 0.099 Uiso 0.456(7) 1 calc R U P A 2
 C2_2 C 0.7288(7) 0.6249(6) 0.0649(5) 0.071(3) Uani 0.456(7) 1 d D . P A 2
 H2A_2 H 0.754789 0.579995 0.050310 0.085 Uiso 0.456(7) 1 calc R U P A 2
 H2B_2 H 0.734137 0.668674 0.039273 0.085 Uiso 0.456(7) 1 calc R U P A 2
 C3_2 C 0.6404(7) 0.6072(7) 0.0627(7) 0.079(4) Uani 0.456(7) 1 d D . P A 2
 H3A_2 H 0.617488 0.648600 0.083500 0.095 Uiso 0.456(7) 1 calc R U P A 2
 H3B_2 H 0.614663 0.610391 0.022374 0.095 Uiso 0.456(7) 1 calc R U P A 2
 C4_2 C 0.6167(6) 0.5326(6) 0.0858(5) 0.069(3) Uani 0.456(7) 1 d D . P A 2
 H4A_2 H 0.641557 0.490966 0.066506 0.083 Uiso 0.456(7) 1 calc R U P A 2
 H4B_2 H 0.639723 0.530357 0.126783 0.083 Uiso 0.456(7) 1 calc R U P A 2
 C5_2 C 0.5300(7) 0.5154(9) 0.0805(7) 0.102(5) Uani 0.456(7) 1 d D . P A 2
 H5A_2 H 0.502695 0.559642 0.094849 0.122 Uiso 0.456(7) 1 calc R U P A 2
 H5B_2 H 0.507628 0.508106 0.039764 0.122 Uiso 0.456(7) 1 calc R U P A 2
 C6_2 C 0.5151(12) 0.4456(9) 0.1130(11) 0.094(5) Uani 0.456(7) 1 d D U P A 2
 H6A_2 H 0.531644 0.400128 0.093652 0.141 Uiso 0.456(7) 1 calc R U P A 2
 H6B_2 H 0.458292 0.441918 0.115050 0.141 Uiso 0.456(7) 1 calc R U P A 2
 H6C_2 H 0.545407 0.448569 0.151603 0.141 Uiso 0.456(7) 1 calc R U P A 2


_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_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Ge1 Fe1 2.3878(6) . ?
 Ge1 N1 1.804(2) . ?
 Fe1 N1 1.836(2) . ?
 Fe1 C73 1.756(3) . ?
 Fe1 C74 1.820(4) . ?
 Fe1 C75 1.754(3) . ?
 O1 C74 1.164(4) . ?
 O2 C73 1.154(4) . ?
 O3 C75 1.150(4) . ?
 N1 C1 1.423(3) . ?
 C1 C2 1.403(4) . ?
 C1 C6 1.402(4) . ?
 C2 C3 1.398(4) . ?
 C2 C40 1.530(4) . ?
 C3 C4 1.391(4) . ?
 C3 C42 1.521(4) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.388(4) . ?
 C5 C6 1.392(4) . ?
 C5 C9 1.524(4) . ?
 C6 C7 1.517(4) . ?
 C7 C8 1.564(4) . ?
 C7 C12 1.528(4) . ?
 C7 C39 1.524(4) . ?
 C8 H8A 0.9900 . ?
 C8 H8B 0.9900 . ?
 C8 C9 1.554(4) . ?
 C9 C10 1.541(4) . ?
 C9 C11 1.539(4) . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C11 H11A 0.9800 . ?
 C11 H11B 0.9800 . ?
 C11 H11C 0.9800 . ?
 C12 C13 1.376(4) . ?
 C12 C25 1.406(4) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.403(4) . ?
 C14 C15 1.537(4) . ?
 C14 C23 1.411(4) . ?
 C15 C16 1.539(4) . ?
 C15 C17 1.538(4) . ?
 C15 C18 1.537(4) . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?
 C18 H18A 0.9900 . ?
 C18 H18B 0.9900 . ?
 C18 C19 1.516(4) . ?
 C19 H19A 0.9900 . ?
 C19 H19B 0.9900 . ?
 C19 C20 1.535(4) . ?
 C20 C21 1.538(4) . ?
 C20 C22 1.539(4) . ?
 C20 C23 1.531(4) . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C22 H22A 0.9800 . ?
 C22 H22B 0.9800 . ?
 C22 H22C 0.9800 . ?
 C23 C24 1.405(4) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.385(4) . ?
 C25 C26 1.475(4) . ?
 C26 C27 1.383(4) . ?
 C26 C39 1.403(4) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.406(4) . ?
 C28 C29 1.533(4) . ?
 C28 C37 1.411(4) . ?
 C29 C30 1.530(4) . ?
 C29 C31 1.539(4) . ?
 C29 C32 1.540(4) . ?
 C30 H30A 0.9800 . ?
 C30 H30B 0.9800 . ?
 C30 H30C 0.9800 . ?
 C31 H31A 0.9800 . ?
 C31 H31B 0.9800 . ?
 C31 H31C 0.9800 . ?
 C32 H32A 0.9900 . ?
 C32 H32B 0.9900 . ?
 C32 C33 1.517(4) . ?
 C33 H33A 0.9900 . ?
 C33 H33B 0.9900 . ?
 C33 C34 1.538(4) . ?
 C34 C35 1.537(4) . ?
 C34 C36 1.530(4) . ?
 C34 C37 1.534(4) . ?
 C35 H35A 0.9800 . ?
 C35 H35B 0.9800 . ?
 C35 H35C 0.9800 . ?
 C36 H36A 0.9800 . ?
 C36 H36B 0.9800 . ?
 C36 H36C 0.9800 . ?
 C37 C38 1.409(4) . ?
 C38 H38 0.9500 . ?
 C38 C39 1.371(4) . ?
 C40 C41 1.569(4) . ?
 C40 C45 1.529(4) . ?
 C40 C72 1.536(4) . ?
 C41 H41A 0.9900 . ?
 C41 H41B 0.9900 . ?
 C41 C42 1.554(4) . ?
 C42 C43 1.540(4) . ?
 C42 C44 1.538(4) . ?
 C43 H43A 0.9800 . ?
 C43 H43B 0.9800 . ?
 C43 H43C 0.9800 . ?
 C44 H44A 0.9800 . ?
 C44 H44B 0.9800 . ?
 C44 H44C 0.9800 . ?
 C45 C46 1.379(4) . ?
 C45 C58 1.396(4) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.402(4) . ?
 C47 C48 1.531(4) . ?
 C47 C56 1.409(4) . ?
 C48 C49 1.536(4) . ?
 C48 C50 1.534(4) . ?
 C48 C51 1.536(4) . ?
 C49 H49A 0.9800 . ?
 C49 H49B 0.9800 . ?
 C49 H49C 0.9800 . ?
 C50 H50A 0.9800 . ?
 C50 H50B 0.9800 . ?
 C50 H50C 0.9800 . ?
 C51 H51A 0.9900 . ?
 C51 H51B 0.9900 . ?
 C51 C52 1.521(4) . ?
 C52 H52A 0.9900 . ?
 C52 H52B 0.9900 . ?
 C52 C53 1.525(4) . ?
 C53 C54 1.541(4) . ?
 C53 C55 1.534(4) . ?
 C53 C56 1.536(4) . ?
 C54 H54A 0.9800 . ?
 C54 H54B 0.9800 . ?
 C54 H54C 0.9800 . ?
 C55 H55A 0.9800 . ?
 C55 H55B 0.9800 . ?
 C55 H55C 0.9800 . ?
 C56 C57 1.400(4) . ?
 C57 H57 0.9500 . ?
 C57 C58 1.388(4) . ?
 C58 C59 1.461(4) . ?
 C59 C60 1.381(4) . ?
 C59 C72 1.404(4) . ?
 C60 H60 0.9500 . ?
 C60 C61 1.400(4) . ?
 C61 C62 1.536(4) . ?
 C61 C70 1.410(4) . ?
 C62 C63 1.540(4) . ?
 C62 C64 1.537(5) . ?
 C62 C65 1.530(4) . ?
 C63 H63A 0.9800 . ?
 C63 H63B 0.9800 . ?
 C63 H63C 0.9800 . ?
 C64 H64A 0.9800 . ?
 C64 H64B 0.9800 . ?
 C64 H64C 0.9800 . ?
 C65 H65A 0.9900 . ?
 C65 H65B 0.9900 . ?
 C65 C66 1.517(5) . ?
 C66 H66A 0.9900 . ?
 C66 H66B 0.9900 . ?
 C66 C67 1.531(4) . ?
 C67 C68 1.545(4) . ?
 C67 C69 1.536(4) . ?
 C67 C70 1.537(4) . ?
 C68 H68A 0.9800 . ?
 C68 H68B 0.9800 . ?
 C68 H68C 0.9800 . ?
 C69 H69A 0.9800 . ?
 C69 H69B 0.9800 . ?
 C69 H69C 0.9800 . ?
 C70 C71 1.409(4) . ?
 C71 H71 0.9500 . ?
 C71 C72 1.379(4) . ?
 C1_1 H1A_1 0.9800 . ?
 C1_1 H1B_1 0.9800 . ?
 C1_1 H1C_1 0.9800 . ?
 C1_1 C2_1 1.497(11) . ?
 C2_1 H2A_1 0.9900 . ?
 C2_1 H2B_1 0.9900 . ?
 C2_1 C3_1 1.537(10) . ?
 C3_1 H3A_1 0.9900 . ?
 C3_1 H3B_1 0.9900 . ?
 C3_1 C4_1 1.524(11) . ?
 C4_1 H4A_1 0.9900 . ?
 C4_1 H4B_1 0.9900 . ?
 C4_1 C5_1 1.495(11) . ?
 C5_1 H5A_1 0.9900 . ?
 C5_1 H5B_1 0.9900 . ?
 C5_1 C6_1 1.483(7) . ?
 C6_1 H6A_1 0.9800 . ?
 C6_1 H6B_1 0.9800 . ?
 C6_1 H6C_1 0.9800 . ?
 C1_2 H1A_2 0.9800 . ?
 C1_2 H1B_2 0.9800 . ?
 C1_2 H1C_2 0.9800 . ?
 C1_2 C2_2 1.505(12) . ?
 C2_2 H2A_2 0.9900 . ?
 C2_2 H2B_2 0.9900 . ?
 C2_2 C3_2 1.532(11) . ?
 C3_2 H3A_2 0.9900 . ?
 C3_2 H3B_2 0.9900 . ?
 C3_2 C4_2 1.493(12) . ?
 C4_2 H4A_2 0.9900 . ?
 C4_2 H4B_2 0.9900 . ?
 C4_2 C5_2 1.493(11) . ?
 C5_2 H5A_2 0.9900 . ?
 C5_2 H5B_2 0.9900 . ?
 C5_2 C6_2 1.486(8) . ?
 C6_2 H6A_2 0.9800 . ?
 C6_2 H6B_2 0.9800 . ?
 C6_2 H6C_2 0.9800 . ?

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
  _geom_angle_publ_flag
 N1 Ge1 Fe1 49.58(7) . . ?
 N1 Fe1 Ge1 48.43(8) . . ?
 C73 Fe1 Ge1 96.08(12) . . ?
 C73 Fe1 N1 129.13(13) . . ?
 C73 Fe1 C74 101.35(16) . . ?
 C74 Fe1 Ge1 152.89(11) . . ?
 C74 Fe1 N1 104.71(13) . . ?
 C75 Fe1 Ge1 99.91(11) . . ?
 C75 Fe1 N1 128.52(13) . . ?
 C75 Fe1 C73 86.44(14) . . ?
 C75 Fe1 C74 101.73(15) . . ?
 Ge1 N1 Fe1 81.99(10) . . ?
 C1 N1 Ge1 135.33(19) . . ?
 C1 N1 Fe1 142.7(2) . . ?
 C2 C1 N1 120.7(2) . . ?
 C6 C1 N1 121.3(2) . . ?
 C6 C1 C2 118.0(2) . . ?
 C1 C2 C40 127.5(2) . . ?
 C3 C2 C1 120.5(2) . . ?
 C3 C2 C40 112.0(2) . . ?
 C2 C3 C42 112.1(2) . . ?
 C4 C3 C2 120.9(2) . . ?
 C4 C3 C42 127.0(2) . . ?
 C3 C4 H4 120.6 . . ?
 C5 C4 C3 118.8(2) . . ?
 C5 C4 H4 120.6 . . ?
 C4 C5 C6 120.7(2) . . ?
 C4 C5 C9 126.8(2) . . ?
 C6 C5 C9 112.5(2) . . ?
 C1 C6 C7 127.5(2) . . ?
 C5 C6 C1 121.1(2) . . ?
 C5 C6 C7 111.4(2) . . ?
 C6 C7 C8 102.4(2) . . ?
 C6 C7 C12 113.1(2) . . ?
 C6 C7 C39 117.3(2) . . ?
 C12 C7 C8 112.7(2) . . ?
 C39 C7 C8 110.5(2) . . ?
 C39 C7 C12 101.2(2) . . ?
 C7 C8 H8A 110.0 . . ?
 C7 C8 H8B 110.0 . . ?
 H8A C8 H8B 108.3 . . ?
 C9 C8 C7 108.7(2) . . ?
 C9 C8 H8A 110.0 . . ?
 C9 C8 H8B 110.0 . . ?
 C5 C9 C8 102.3(2) . . ?
 C5 C9 C10 112.3(2) . . ?
 C5 C9 C11 111.0(2) . . ?
 C10 C9 C8 112.0(2) . . ?
 C11 C9 C8 110.0(2) . . ?
 C11 C9 C10 109.1(2) . . ?
 C9 C10 H10A 109.5 . . ?
 C9 C10 H10B 109.5 . . ?
 C9 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 C9 C11 H11A 109.5 . . ?
 C9 C11 H11B 109.5 . . ?
 C9 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 C13 C12 C7 129.5(2) . . ?
 C13 C12 C25 119.5(2) . . ?
 C25 C12 C7 111.0(2) . . ?
 C12 C13 H13 119.2 . . ?
 C12 C13 C14 121.5(2) . . ?
 C14 C13 H13 119.2 . . ?
 C13 C14 C15 118.3(2) . . ?
 C13 C14 C23 119.1(2) . . ?
 C23 C14 C15 122.7(2) . . ?
 C14 C15 C16 111.0(2) . . ?
 C14 C15 C17 109.8(2) . . ?
 C14 C15 C18 109.6(2) . . ?
 C17 C15 C16 108.3(2) . . ?
 C18 C15 C16 107.4(2) . . ?
 C18 C15 C17 110.7(2) . . ?
 C15 C16 H16A 109.5 . . ?
 C15 C16 H16B 109.5 . . ?
 C15 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 C15 C17 H17A 109.5 . . ?
 C15 C17 H17B 109.5 . . ?
 C15 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 C15 C18 H18A 109.3 . . ?
 C15 C18 H18B 109.3 . . ?
 H18A C18 H18B 107.9 . . ?
 C19 C18 C15 111.7(2) . . ?
 C19 C18 H18A 109.3 . . ?
 C19 C18 H18B 109.3 . . ?
 C18 C19 H19A 109.2 . . ?
 C18 C19 H19B 109.2 . . ?
 C18 C19 C20 112.2(2) . . ?
 H19A C19 H19B 107.9 . . ?
 C20 C19 H19A 109.2 . . ?
 C20 C19 H19B 109.2 . . ?
 C19 C20 C21 109.6(2) . . ?
 C19 C20 C22 107.2(2) . . ?
 C21 C20 C22 109.3(2) . . ?
 C23 C20 C19 110.9(2) . . ?
 C23 C20 C21 109.9(2) . . ?
 C23 C20 C22 110.0(2) . . ?
 C20 C21 H21A 109.5 . . ?
 C20 C21 H21B 109.5 . . ?
 C20 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C20 C22 H22A 109.5 . . ?
 C20 C22 H22B 109.5 . . ?
 C20 C22 H22C 109.5 . . ?
 H22A C22 H22B 109.5 . . ?
 H22A C22 H22C 109.5 . . ?
 H22B C22 H22C 109.5 . . ?
 C14 C23 C20 123.0(2) . . ?
 C24 C23 C14 118.9(2) . . ?
 C24 C23 C20 118.1(2) . . ?
 C23 C24 H24 119.5 . . ?
 C25 C24 C23 121.1(2) . . ?
 C25 C24 H24 119.5 . . ?
 C12 C25 C26 108.0(2) . . ?
 C24 C25 C12 119.8(2) . . ?
 C24 C25 C26 132.1(2) . . ?
 C27 C26 C25 132.0(2) . . ?
 C27 C26 C39 119.4(2) . . ?
 C39 C26 C25 108.7(2) . . ?
 C26 C27 H27 119.5 . . ?
 C26 C27 C28 121.0(2) . . ?
 C28 C27 H27 119.5 . . ?
 C27 C28 C29 118.6(2) . . ?
 C27 C28 C37 119.4(2) . . ?
 C37 C28 C29 122.0(2) . . ?
 C28 C29 C31 108.2(2) . . ?
 C28 C29 C32 109.6(2) . . ?
 C30 C29 C28 111.7(2) . . ?
 C30 C29 C31 108.7(2) . . ?
 C30 C29 C32 107.3(2) . . ?
 C31 C29 C32 111.5(2) . . ?
 C29 C30 H30A 109.5 . . ?
 C29 C30 H30B 109.5 . . ?
 C29 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C29 C31 H31A 109.5 . . ?
 C29 C31 H31B 109.5 . . ?
 C29 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 C29 C32 H32A 109.1 . . ?
 C29 C32 H32B 109.1 . . ?
 H32A C32 H32B 107.8 . . ?
 C33 C32 C29 112.6(2) . . ?
 C33 C32 H32A 109.1 . . ?
 C33 C32 H32B 109.1 . . ?
 C32 C33 H33A 109.1 . . ?
 C32 C33 H33B 109.1 . . ?
 C32 C33 C34 112.4(2) . . ?
 H33A C33 H33B 107.8 . . ?
 C34 C33 H33A 109.1 . . ?
 C34 C33 H33B 109.1 . . ?
 C35 C34 C33 109.8(2) . . ?
 C36 C34 C33 107.1(2) . . ?
 C36 C34 C35 108.3(2) . . ?
 C36 C34 C37 111.4(2) . . ?
 C37 C34 C33 111.4(2) . . ?
 C37 C34 C35 108.8(2) . . ?
 C34 C35 H35A 109.5 . . ?
 C34 C35 H35B 109.5 . . ?
 C34 C35 H35C 109.5 . . ?
 H35A C35 H35B 109.5 . . ?
 H35A C35 H35C 109.5 . . ?
 H35B C35 H35C 109.5 . . ?
 C34 C36 H36A 109.5 . . ?
 C34 C36 H36B 109.5 . . ?
 C34 C36 H36C 109.5 . . ?
 H36A C36 H36B 109.5 . . ?
 H36A C36 H36C 109.5 . . ?
 H36B C36 H36C 109.5 . . ?
 C28 C37 C34 123.8(2) . . ?
 C38 C37 C28 118.5(2) . . ?
 C38 C37 C34 117.7(2) . . ?
 C37 C38 H38 119.4 . . ?
 C39 C38 C37 121.2(2) . . ?
 C39 C38 H38 119.4 . . ?
 C26 C39 C7 110.8(2) . . ?
 C38 C39 C7 128.8(2) . . ?
 C38 C39 C26 120.4(2) . . ?
 C2 C40 C41 101.3(2) . . ?
 C2 C40 C72 117.2(2) . . ?
 C45 C40 C2 112.8(2) . . ?
 C45 C40 C41 113.9(2) . . ?
 C45 C40 C72 100.9(2) . . ?
 C72 C40 C41 111.3(2) . . ?
 C40 C41 H41A 109.9 . . ?
 C40 C41 H41B 109.9 . . ?
 H41A C41 H41B 108.3 . . ?
 C42 C41 C40 109.1(2) . . ?
 C42 C41 H41A 109.9 . . ?
 C42 C41 H41B 109.9 . . ?
 C3 C42 C41 102.2(2) . . ?
 C3 C42 C43 111.7(2) . . ?
 C3 C42 C44 112.2(2) . . ?
 C43 C42 C41 110.4(2) . . ?
 C44 C42 C41 112.9(2) . . ?
 C44 C42 C43 107.5(2) . . ?
 C42 C43 H43A 109.5 . . ?
 C42 C43 H43B 109.5 . . ?
 C42 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C42 C44 H44A 109.5 . . ?
 C42 C44 H44B 109.5 . . ?
 C42 C44 H44C 109.5 . . ?
 H44A C44 H44B 109.5 . . ?
 H44A C44 H44C 109.5 . . ?
 H44B C44 H44C 109.5 . . ?
 C46 C45 C40 130.1(2) . . ?
 C46 C45 C58 118.8(2) . . ?
 C58 C45 C40 111.1(2) . . ?
 C45 C46 H46 119.1 . . ?
 C45 C46 C47 121.7(2) . . ?
 C47 C46 H46 119.1 . . ?
 C46 C47 C48 118.1(2) . . ?
 C46 C47 C56 119.3(2) . . ?
 C56 C47 C48 122.5(2) . . ?
 C47 C48 C49 111.8(2) . . ?
 C47 C48 C50 107.9(2) . . ?
 C47 C48 C51 110.9(2) . . ?
 C49 C48 C51 107.9(2) . . ?
 C50 C48 C49 108.6(2) . . ?
 C50 C48 C51 109.7(2) . . ?
 C48 C49 H49A 109.5 . . ?
 C48 C49 H49B 109.5 . . ?
 C48 C49 H49C 109.5 . . ?
 H49A C49 H49B 109.5 . . ?
 H49A C49 H49C 109.5 . . ?
 H49B C49 H49C 109.5 . . ?
 C48 C50 H50A 109.5 . . ?
 C48 C50 H50B 109.5 . . ?
 C48 C50 H50C 109.5 . . ?
 H50A C50 H50B 109.5 . . ?
 H50A C50 H50C 109.5 . . ?
 H50B C50 H50C 109.5 . . ?
 C48 C51 H51A 109.1 . . ?
 C48 C51 H51B 109.1 . . ?
 H51A C51 H51B 107.8 . . ?
 C52 C51 C48 112.7(3) . . ?
 C52 C51 H51A 109.1 . . ?
 C52 C51 H51B 109.1 . . ?
 C51 C52 H52A 109.1 . . ?
 C51 C52 H52B 109.1 . . ?
 C51 C52 C53 112.4(2) . . ?
 H52A C52 H52B 107.9 . . ?
 C53 C52 H52A 109.1 . . ?
 C53 C52 H52B 109.1 . . ?
 C52 C53 C54 110.5(2) . . ?
 C52 C53 C55 107.8(2) . . ?
 C52 C53 C56 110.6(2) . . ?
 C55 C53 C54 108.5(2) . . ?
 C55 C53 C56 111.6(2) . . ?
 C56 C53 C54 107.7(2) . . ?
 C53 C54 H54A 109.5 . . ?
 C53 C54 H54B 109.5 . . ?
 C53 C54 H54C 109.5 . . ?
 H54A C54 H54B 109.5 . . ?
 H54A C54 H54C 109.5 . . ?
 H54B C54 H54C 109.5 . . ?
 C53 C55 H55A 109.5 . . ?
 C53 C55 H55B 109.5 . . ?
 C53 C55 H55C 109.5 . . ?
 H55A C55 H55B 109.5 . . ?
 H55A C55 H55C 109.5 . . ?
 H55B C55 H55C 109.5 . . ?
 C47 C56 C53 122.6(2) . . ?
 C57 C56 C47 118.7(2) . . ?
 C57 C56 C53 118.7(2) . . ?
 C56 C57 H57 119.6 . . ?
 C58 C57 C56 120.9(3) . . ?
 C58 C57 H57 119.6 . . ?
 C45 C58 C59 108.7(2) . . ?
 C57 C58 C45 120.6(2) . . ?
 C57 C58 C59 130.7(2) . . ?
 C60 C59 C58 130.6(3) . . ?
 C60 C59 C72 120.5(3) . . ?
 C72 C59 C58 108.9(2) . . ?
 C59 C60 H60 119.5 . . ?
 C59 C60 C61 121.1(3) . . ?
 C61 C60 H60 119.5 . . ?
 C60 C61 C62 117.1(3) . . ?
 C60 C61 C70 118.9(2) . . ?
 C70 C61 C62 124.0(3) . . ?
 C61 C62 C63 107.9(2) . . ?
 C61 C62 C64 111.1(3) . . ?
 C64 C62 C63 108.6(3) . . ?
 C65 C62 C61 111.7(2) . . ?
 C65 C62 C63 109.5(3) . . ?
 C65 C62 C64 108.0(3) . . ?
 C62 C63 H63A 109.5 . . ?
 C62 C63 H63B 109.5 . . ?
 C62 C63 H63C 109.5 . . ?
 H63A C63 H63B 109.5 . . ?
 H63A C63 H63C 109.5 . . ?
 H63B C63 H63C 109.5 . . ?
 C62 C64 H64A 109.5 . . ?
 C62 C64 H64B 109.5 . . ?
 C62 C64 H64C 109.5 . . ?
 H64A C64 H64B 109.5 . . ?
 H64A C64 H64C 109.5 . . ?
 H64B C64 H64C 109.5 . . ?
 C62 C65 H65A 108.9 . . ?
 C62 C65 H65B 108.9 . . ?
 H65A C65 H65B 107.7 . . ?
 C66 C65 C62 113.5(3) . . ?
 C66 C65 H65A 108.9 . . ?
 C66 C65 H65B 108.9 . . ?
 C65 C66 H66A 109.2 . . ?
 C65 C66 H66B 109.2 . . ?
 C65 C66 C67 112.0(3) . . ?
 H66A C66 H66B 107.9 . . ?
 C67 C66 H66A 109.2 . . ?
 C67 C66 H66B 109.2 . . ?
 C66 C67 C68 107.5(2) . . ?
 C66 C67 C69 111.4(2) . . ?
 C66 C67 C70 109.3(2) . . ?
 C69 C67 C68 108.1(3) . . ?
 C69 C67 C70 108.3(2) . . ?
 C70 C67 C68 112.4(2) . . ?
 C67 C68 H68A 109.5 . . ?
 C67 C68 H68B 109.5 . . ?
 C67 C68 H68C 109.5 . . ?
 H68A C68 H68B 109.5 . . ?
 H68A C68 H68C 109.5 . . ?
 H68B C68 H68C 109.5 . . ?
 C67 C69 H69A 109.5 . . ?
 C67 C69 H69B 109.5 . . ?
 C67 C69 H69C 109.5 . . ?
 H69A C69 H69B 109.5 . . ?
 H69A C69 H69C 109.5 . . ?
 H69B C69 H69C 109.5 . . ?
 C61 C70 C67 120.8(2) . . ?
 C71 C70 C61 119.1(2) . . ?
 C71 C70 C67 120.0(2) . . ?
 C70 C71 H71 119.3 . . ?
 C72 C71 C70 121.5(3) . . ?
 C72 C71 H71 119.3 . . ?
 C59 C72 C40 110.4(2) . . ?
 C71 C72 C40 130.6(2) . . ?
 C71 C72 C59 118.9(2) . . ?
 O2 C73 Fe1 178.7(4) . . ?
 O1 C74 Fe1 169.2(3) . . ?
 O3 C75 Fe1 177.6(3) . . ?
 H1A_1 C1_1 H1B_1 109.5 . . ?
 H1A_1 C1_1 H1C_1 109.5 . . ?
 H1B_1 C1_1 H1C_1 109.5 . . ?
 C2_1 C1_1 H1A_1 109.5 . . ?
 C2_1 C1_1 H1B_1 109.5 . . ?
 C2_1 C1_1 H1C_1 109.5 . . ?
 C1_1 C2_1 H2A_1 108.9 . . ?
 C1_1 C2_1 H2B_1 108.9 . . ?
 C1_1 C2_1 C3_1 113.4(7) . . ?
 H2A_1 C2_1 H2B_1 107.7 . . ?
 C3_1 C2_1 H2A_1 108.9 . . ?
 C3_1 C2_1 H2B_1 108.9 . . ?
 C2_1 C3_1 H3A_1 108.2 . . ?
 C2_1 C3_1 H3B_1 108.2 . . ?
 H3A_1 C3_1 H3B_1 107.3 . . ?
 C4_1 C3_1 C2_1 116.4(7) . . ?
 C4_1 C3_1 H3A_1 108.2 . . ?
 C4_1 C3_1 H3B_1 108.2 . . ?
 C3_1 C4_1 H4A_1 109.4 . . ?
 C3_1 C4_1 H4B_1 109.4 . . ?
 H4A_1 C4_1 H4B_1 108.0 . . ?
 C5_1 C4_1 C3_1 111.1(8) . . ?
 C5_1 C4_1 H4A_1 109.4 . . ?
 C5_1 C4_1 H4B_1 109.4 . . ?
 C4_1 C5_1 H5A_1 108.7 . . ?
 C4_1 C5_1 H5B_1 108.7 . . ?
 H5A_1 C5_1 H5B_1 107.6 . . ?
 C6_1 C5_1 C4_1 114.3(9) . . ?
 C6_1 C5_1 H5A_1 108.7 . . ?
 C6_1 C5_1 H5B_1 108.7 . . ?
 C5_1 C6_1 H6A_1 109.5 . . ?
 C5_1 C6_1 H6B_1 109.5 . . ?
 C5_1 C6_1 H6C_1 109.5 . . ?
 H6A_1 C6_1 H6B_1 109.5 . . ?
 H6A_1 C6_1 H6C_1 109.5 . . ?
 H6B_1 C6_1 H6C_1 109.5 . . ?
 H1A_2 C1_2 H1B_2 109.5 . . ?
 H1A_2 C1_2 H1C_2 109.5 . . ?
 H1B_2 C1_2 H1C_2 109.5 . . ?
 C2_2 C1_2 H1A_2 109.5 . . ?
 C2_2 C1_2 H1B_2 109.5 . . ?
 C2_2 C1_2 H1C_2 109.5 . . ?
 C1_2 C2_2 H2A_2 108.8 . . ?
 C1_2 C2_2 H2B_2 108.8 . . ?
 C1_2 C2_2 C3_2 113.6(10) . . ?
 H2A_2 C2_2 H2B_2 107.7 . . ?
 C3_2 C2_2 H2A_2 108.8 . . ?
 C3_2 C2_2 H2B_2 108.8 . . ?
 C2_2 C3_2 H3A_2 107.5 . . ?
 C2_2 C3_2 H3B_2 107.5 . . ?
 H3A_2 C3_2 H3B_2 107.0 . . ?
 C4_2 C3_2 C2_2 119.1(9) . . ?
 C4_2 C3_2 H3A_2 107.5 . . ?
 C4_2 C3_2 H3B_2 107.5 . . ?
 C3_2 C4_2 H4A_2 107.9 . . ?
 C3_2 C4_2 H4B_2 107.9 . . ?
 H4A_2 C4_2 H4B_2 107.2 . . ?
 C5_2 C4_2 C3_2 117.8(9) . . ?
 C5_2 C4_2 H4A_2 107.9 . . ?
 C5_2 C4_2 H4B_2 107.9 . . ?
 C4_2 C5_2 H5A_2 109.3 . . ?
 C4_2 C5_2 H5B_2 109.3 . . ?
 H5A_2 C5_2 H5B_2 107.9 . . ?
 C6_2 C5_2 C4_2 111.8(11) . . ?
 C6_2 C5_2 H5A_2 109.3 . . ?
 C6_2 C5_2 H5B_2 109.3 . . ?
 C5_2 C6_2 H6A_2 109.5 . . ?
 C5_2 C6_2 H6B_2 109.5 . . ?
 C5_2 C6_2 H6C_2 109.5 . . ?
 H6A_2 C6_2 H6B_2 109.5 . . ?
 H6A_2 C6_2 H6C_2 109.5 . . ?
 H6B_2 C6_2 H6C_2 109.5 . . ?

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_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Ge1 Fe1 N1 C1 178.2(3) . . . . ?
 Ge1 Fe1 C74 O1 160.2(14) . . . . ?
 Ge1 N1 C1 C2 84.8(3) . . . . ?
 Ge1 N1 C1 C6 -93.5(3) . . . . ?
 Fe1 Ge1 N1 C1 -178.4(3) . . . . ?
 Fe1 N1 C1 C2 -92.7(3) . . . . ?
 Fe1 N1 C1 C6 89.0(4) . . . . ?
 N1 Fe1 C74 O1 167.0(15) . . . . ?
 N1 C1 C2 C3 -179.3(2) . . . . ?
 N1 C1 C2 C40 2.9(4) . . . . ?
 N1 C1 C6 C5 177.8(2) . . . . ?
 N1 C1 C6 C7 -3.8(4) . . . . ?
 C1 C2 C3 C4 1.0(4) . . . . ?
 C1 C2 C3 C42 179.6(2) . . . . ?
 C1 C2 C40 C41 -169.7(3) . . . . ?
 C1 C2 C40 C45 68.2(3) . . . . ?
 C1 C2 C40 C72 -48.4(4) . . . . ?
 C1 C6 C7 C8 167.8(2) . . . . ?
 C1 C6 C7 C12 -70.7(3) . . . . ?
 C1 C6 C7 C39 46.6(4) . . . . ?
 C2 C1 C6 C5 -0.6(4) . . . . ?
 C2 C1 C6 C7 177.9(2) . . . . ?
 C2 C3 C4 C5 0.5(4) . . . . ?
 C2 C3 C42 C41 -9.0(3) . . . . ?
 C2 C3 C42 C43 -127.1(2) . . . . ?
 C2 C3 C42 C44 112.1(3) . . . . ?
 C2 C40 C41 C42 -17.8(3) . . . . ?
 C2 C40 C45 C46 54.4(4) . . . . ?
 C2 C40 C45 C58 -127.7(2) . . . . ?
 C2 C40 C72 C59 124.3(2) . . . . ?
 C2 C40 C72 C71 -58.8(4) . . . . ?
 C3 C2 C40 C41 12.3(3) . . . . ?
 C3 C2 C40 C45 -109.8(3) . . . . ?
 C3 C2 C40 C72 133.6(2) . . . . ?
 C3 C4 C5 C6 -2.0(4) . . . . ?
 C3 C4 C5 C9 175.2(2) . . . . ?
 C4 C3 C42 C41 169.5(3) . . . . ?
 C4 C3 C42 C43 51.5(3) . . . . ?
 C4 C3 C42 C44 -69.3(3) . . . . ?
 C4 C5 C6 C1 2.1(4) . . . . ?
 C4 C5 C6 C7 -176.6(2) . . . . ?
 C4 C5 C9 C8 -172.6(2) . . . . ?
 C4 C5 C9 C10 67.1(3) . . . . ?
 C4 C5 C9 C11 -55.3(3) . . . . ?
 C5 C6 C7 C8 -13.7(3) . . . . ?
 C5 C6 C7 C12 107.9(3) . . . . ?
 C5 C6 C7 C39 -134.9(2) . . . . ?
 C6 C1 C2 C3 -0.9(4) . . . . ?
 C6 C1 C2 C40 -178.8(2) . . . . ?
 C6 C5 C9 C8 4.9(3) . . . . ?
 C6 C5 C9 C10 -115.4(2) . . . . ?
 C6 C5 C9 C11 122.1(2) . . . . ?
 C6 C7 C8 C9 16.4(3) . . . . ?
 C6 C7 C12 C13 -49.5(4) . . . . ?
 C6 C7 C12 C25 131.1(2) . . . . ?
 C6 C7 C39 C26 -129.1(2) . . . . ?
 C6 C7 C39 C38 52.6(4) . . . . ?
 C7 C8 C9 C5 -13.3(3) . . . . ?
 C7 C8 C9 C10 107.2(2) . . . . ?
 C7 C8 C9 C11 -131.3(2) . . . . ?
 C7 C12 C13 C14 -177.9(2) . . . . ?
 C7 C12 C25 C24 179.9(2) . . . . ?
 C7 C12 C25 C26 -2.4(3) . . . . ?
 C8 C7 C12 C13 66.1(3) . . . . ?
 C8 C7 C12 C25 -113.3(2) . . . . ?
 C8 C7 C39 C26 114.0(2) . . . . ?
 C8 C7 C39 C38 -64.2(3) . . . . ?
 C9 C5 C6 C1 -175.5(2) . . . . ?
 C9 C5 C6 C7 5.8(3) . . . . ?
 C12 C7 C8 C9 -105.4(2) . . . . ?
 C12 C7 C39 C26 -5.6(3) . . . . ?
 C12 C7 C39 C38 176.1(3) . . . . ?
 C12 C13 C14 C15 175.9(2) . . . . ?
 C12 C13 C14 C23 -3.9(4) . . . . ?
 C12 C25 C26 C27 -179.4(3) . . . . ?
 C12 C25 C26 C39 -1.4(3) . . . . ?
 C13 C12 C25 C24 0.4(4) . . . . ?
 C13 C12 C25 C26 178.1(2) . . . . ?
 C13 C14 C15 C16 -47.1(3) . . . . ?
 C13 C14 C15 C17 72.7(3) . . . . ?
 C13 C14 C15 C18 -165.5(2) . . . . ?
 C13 C14 C23 C20 -174.6(2) . . . . ?
 C13 C14 C23 C24 4.4(4) . . . . ?
 C14 C15 C18 C19 -48.4(3) . . . . ?
 C14 C23 C24 C25 -2.6(4) . . . . ?
 C15 C14 C23 C20 5.6(4) . . . . ?
 C15 C14 C23 C24 -175.4(2) . . . . ?
 C15 C18 C19 C20 65.5(3) . . . . ?
 C16 C15 C18 C19 -169.0(2) . . . . ?
 C17 C15 C18 C19 72.9(3) . . . . ?
 C18 C19 C20 C21 78.8(3) . . . . ?
 C18 C19 C20 C22 -162.7(3) . . . . ?
 C18 C19 C20 C23 -42.6(3) . . . . ?
 C19 C20 C23 C14 8.4(4) . . . . ?
 C19 C20 C23 C24 -170.6(2) . . . . ?
 C20 C23 C24 C25 176.5(2) . . . . ?
 C21 C20 C23 C14 -112.9(3) . . . . ?
 C21 C20 C23 C24 68.1(3) . . . . ?
 C22 C20 C23 C14 126.8(3) . . . . ?
 C22 C20 C23 C24 -52.2(3) . . . . ?
 C23 C14 C15 C16 132.8(3) . . . . ?
 C23 C14 C15 C17 -107.5(3) . . . . ?
 C23 C14 C15 C18 14.3(4) . . . . ?
 C23 C24 C25 C12 0.1(4) . . . . ?
 C23 C24 C25 C26 -176.9(3) . . . . ?
 C24 C25 C26 C27 -2.1(5) . . . . ?
 C24 C25 C26 C39 175.9(3) . . . . ?
 C25 C12 C13 C14 1.5(4) . . . . ?
 C25 C26 C27 C28 177.3(3) . . . . ?
 C25 C26 C39 C7 4.6(3) . . . . ?
 C25 C26 C39 C38 -177.0(2) . . . . ?
 C26 C27 C28 C29 -179.4(2) . . . . ?
 C26 C27 C28 C37 -0.7(4) . . . . ?
 C27 C26 C39 C7 -177.1(2) . . . . ?
 C27 C26 C39 C38 1.3(4) . . . . ?
 C27 C28 C29 C30 -42.0(3) . . . . ?
 C27 C28 C29 C31 77.6(3) . . . . ?
 C27 C28 C29 C32 -160.6(3) . . . . ?
 C27 C28 C37 C34 179.4(3) . . . . ?
 C27 C28 C37 C38 1.3(4) . . . . ?
 C28 C29 C32 C33 -50.2(3) . . . . ?
 C28 C37 C38 C39 -0.6(4) . . . . ?
 C29 C28 C37 C34 -2.0(4) . . . . ?
 C29 C28 C37 C38 179.9(2) . . . . ?
 C29 C32 C33 C34 62.7(3) . . . . ?
 C30 C29 C32 C33 -171.6(2) . . . . ?
 C31 C29 C32 C33 69.5(3) . . . . ?
 C32 C33 C34 C35 80.3(3) . . . . ?
 C32 C33 C34 C36 -162.3(3) . . . . ?
 C32 C33 C34 C37 -40.3(3) . . . . ?
 C33 C34 C37 C28 11.2(4) . . . . ?
 C33 C34 C37 C38 -170.6(2) . . . . ?
 C34 C37 C38 C39 -178.8(2) . . . . ?
 C35 C34 C37 C28 -109.9(3) . . . . ?
 C35 C34 C37 C38 68.2(3) . . . . ?
 C36 C34 C37 C28 130.8(3) . . . . ?
 C36 C34 C37 C38 -51.1(3) . . . . ?
 C37 C28 C29 C30 139.4(3) . . . . ?
 C37 C28 C29 C31 -101.1(3) . . . . ?
 C37 C28 C29 C32 20.7(4) . . . . ?
 C37 C38 C39 C7 177.4(2) . . . . ?
 C37 C38 C39 C26 -0.7(4) . . . . ?
 C39 C7 C8 C9 142.2(2) . . . . ?
 C39 C7 C12 C13 -175.8(3) . . . . ?
 C39 C7 C12 C25 4.8(3) . . . . ?
 C39 C26 C27 C28 -0.6(4) . . . . ?
 C40 C2 C3 C4 179.1(2) . . . . ?
 C40 C2 C3 C42 -2.2(3) . . . . ?
 C40 C41 C42 C3 16.7(3) . . . . ?
 C40 C41 C42 C43 135.7(2) . . . . ?
 C40 C41 C42 C44 -104.0(3) . . . . ?
 C40 C45 C46 C47 175.4(2) . . . . ?
 C40 C45 C58 C57 -177.7(2) . . . . ?
 C40 C45 C58 C59 1.6(3) . . . . ?
 C41 C40 C45 C46 -60.4(4) . . . . ?
 C41 C40 C45 C58 117.5(2) . . . . ?
 C41 C40 C72 C59 -119.7(2) . . . . ?
 C41 C40 C72 C71 57.2(4) . . . . ?
 C42 C3 C4 C5 -177.9(2) . . . . ?
 C45 C40 C41 C42 103.6(3) . . . . ?
 C45 C40 C72 C59 1.4(3) . . . . ?
 C45 C40 C72 C71 178.4(3) . . . . ?
 C45 C46 C47 C48 -173.3(2) . . . . ?
 C45 C46 C47 C56 2.2(4) . . . . ?
 C45 C58 C59 C60 179.7(3) . . . . ?
 C45 C58 C59 C72 -0.6(3) . . . . ?
 C46 C45 C58 C57 0.4(4) . . . . ?
 C46 C45 C58 C59 179.7(2) . . . . ?
 C46 C47 C48 C49 -45.1(3) . . . . ?
 C46 C47 C48 C50 74.2(3) . . . . ?
 C46 C47 C48 C51 -165.6(2) . . . . ?
 C46 C47 C56 C53 177.0(2) . . . . ?
 C46 C47 C56 C57 -0.2(4) . . . . ?
 C47 C48 C51 C52 -45.1(3) . . . . ?
 C47 C56 C57 C58 -1.7(4) . . . . ?
 C48 C47 C56 C53 -7.7(4) . . . . ?
 C48 C47 C56 C57 175.1(2) . . . . ?
 C48 C51 C52 C53 62.1(3) . . . . ?
 C49 C48 C51 C52 -167.9(3) . . . . ?
 C50 C48 C51 C52 74.0(3) . . . . ?
 C51 C52 C53 C54 72.2(3) . . . . ?
 C51 C52 C53 C55 -169.4(2) . . . . ?
 C51 C52 C53 C56 -47.1(3) . . . . ?
 C52 C53 C56 C47 21.1(4) . . . . ?
 C52 C53 C56 C57 -161.8(2) . . . . ?
 C53 C56 C57 C58 -179.0(2) . . . . ?
 C54 C53 C56 C47 -99.9(3) . . . . ?
 C54 C53 C56 C57 77.3(3) . . . . ?
 C55 C53 C56 C47 141.1(3) . . . . ?
 C55 C53 C56 C57 -41.7(3) . . . . ?
 C56 C47 C48 C49 139.5(3) . . . . ?
 C56 C47 C48 C50 -101.2(3) . . . . ?
 C56 C47 C48 C51 19.0(4) . . . . ?
 C56 C57 C58 C45 1.5(4) . . . . ?
 C56 C57 C58 C59 -177.6(3) . . . . ?
 C57 C58 C59 C60 -1.1(5) . . . . ?
 C57 C58 C59 C72 178.6(3) . . . . ?
 C58 C45 C46 C47 -2.3(4) . . . . ?
 C58 C59 C60 C61 178.7(3) . . . . ?
 C58 C59 C72 C40 -0.6(3) . . . . ?
 C58 C59 C72 C71 -177.9(2) . . . . ?
 C59 C60 C61 C62 176.8(3) . . . . ?
 C59 C60 C61 C70 -0.3(4) . . . . ?
 C60 C59 C72 C40 179.2(2) . . . . ?
 C60 C59 C72 C71 1.8(4) . . . . ?
 C60 C61 C62 C63 -67.2(3) . . . . ?
 C60 C61 C62 C64 51.7(4) . . . . ?
 C60 C61 C62 C65 172.4(3) . . . . ?
 C60 C61 C70 C67 -176.1(2) . . . . ?
 C60 C61 C70 C71 0.8(4) . . . . ?
 C61 C62 C65 C66 36.8(4) . . . . ?
 C61 C70 C71 C72 0.0(4) . . . . ?
 C62 C61 C70 C67 7.1(4) . . . . ?
 C62 C61 C70 C71 -176.0(3) . . . . ?
 C62 C65 C66 C67 -61.3(4) . . . . ?
 C63 C62 C65 C66 -82.7(3) . . . . ?
 C64 C62 C65 C66 159.3(3) . . . . ?
 C65 C66 C67 C68 176.2(3) . . . . ?
 C65 C66 C67 C69 -65.6(3) . . . . ?
 C65 C66 C67 C70 54.0(3) . . . . ?
 C66 C67 C70 C61 -27.9(4) . . . . ?
 C66 C67 C70 C71 155.2(3) . . . . ?
 C67 C70 C71 C72 176.9(2) . . . . ?
 C68 C67 C70 C61 -147.1(3) . . . . ?
 C68 C67 C70 C71 36.0(4) . . . . ?
 C69 C67 C70 C61 93.5(3) . . . . ?
 C69 C67 C70 C71 -83.3(3) . . . . ?
 C70 C61 C62 C63 109.7(3) . . . . ?
 C70 C61 C62 C64 -131.4(3) . . . . ?
 C70 C61 C62 C65 -10.7(4) . . . . ?
 C70 C71 C72 C40 -178.0(3) . . . . ?
 C70 C71 C72 C59 -1.3(4) . . . . ?
 C72 C40 C41 C42 -143.2(2) . . . . ?
 C72 C40 C45 C46 -179.7(3) . . . . ?
 C72 C40 C45 C58 -1.8(3) . . . . ?
 C72 C59 C60 C61 -1.0(4) . . . . ?
 C73 Fe1 N1 Ge1 -57.39(18) . . . . ?
 C73 Fe1 N1 C1 120.8(3) . . . . ?
 C73 Fe1 C74 O1 31.1(16) . . . . ?
 C74 Fe1 N1 Ge1 -175.81(11) . . . . ?
 C74 Fe1 N1 C1 2.4(3) . . . . ?
 C75 Fe1 N1 Ge1 65.66(17) . . . . ?
 C75 Fe1 N1 C1 -116.2(3) . . . . ?
 C75 Fe1 C74 O1 -57.5(15) . . . . ?
 C1_1 C2_1 C3_1 C4_1 175.3(8) . . . . ?
 C2_1 C3_1 C4_1 C5_1 76.3(13) . . . . ?
 C3_1 C4_1 C5_1 C6_1 177.0(11) . . . . ?
 C1_2 C2_2 C3_2 C4_2 -73.6(17) . . . . ?
 C2_2 C3_2 C4_2 C5_2 -177.1(13) . . . . ?
 C3_2 C4_2 C5_2 C6_2 -171.2(16) . . . . ?

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