data_7
_audit_creation_date               2025-06-08
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number       '2019/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C74 H95 Ge I2 N, 1.5(C6), 1[C6H14]'
_chemical_formula_sum              'C80 H109 Ge I2 N'
_chemical_formula_weight           1411.07
_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' 0.0181 0.0091 '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'
 'Ge' 'Ge' -1.0885 0.8855
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'I' 'I' -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 '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             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                     37.4261(4)
_cell_length_b                     15.14820(10)
_cell_length_c                     31.6565(4)
_cell_angle_alpha                  90
_cell_angle_beta                   122.816(2)
_cell_angle_gamma                  90
_cell_volume                       15083.2(4)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      28966
_cell_measurement_temperature      100.00(10)
_cell_measurement_theta_max        76.5080
_cell_measurement_theta_min        2.7660
_shelx_estimated_absorpt_T_max     0.561
_shelx_estimated_absorpt_T_min     0.452
_exptl_absorpt_coefficient_mu      7.268
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.60187
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.98a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.243
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               5872
_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    0.0245
_diffrn_reflns_av_unetI/netI       0.0254
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.978
_diffrn_reflns_limit_h_max         47
_diffrn_reflns_limit_h_min         -45
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -18
_diffrn_reflns_limit_l_max         40
_diffrn_reflns_limit_l_min         -36
_diffrn_reflns_number              52026
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.978
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           77.195
_diffrn_reflns_theta_min           2.810
_diffrn_ambient_temperature        100.15
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.978
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -17.00   8.00   0.50    0.10    --  -39.60   8.00 152.00   50
  2  ω    -98.00 -36.00   0.50    0.20    --  -97.00  77.00 -90.00  124
  3  ω    -99.00 -42.00   0.50    0.10    --  -39.60  -8.00 -21.00  114
  4  ω   -117.00 -65.00   0.50    0.10    --  -39.60-179.00-180.00  104
  5  ω   -116.00 -48.00   0.50    0.10    --  -39.60-179.00-150.00  136
  6  ω   -123.00 -16.00   0.50    0.20    --  -97.00  -8.00 -21.00  214
  7  ω    -36.00 -11.00   0.50    0.10    --   39.60  -8.00 -21.00   50
  8  ω     41.00  68.00   0.50    0.20    --  115.75 -61.00 120.00   54
  9  ω     50.00  94.00   0.50    0.20    --  115.75 -77.00  60.00   88
 10  ω     41.00  67.00   0.50    0.20    --  115.75 -61.00  30.00   52
 11  ω     41.00  66.00   0.50    0.20    --  115.75 -61.00   0.00   50
 12  ω     42.00  67.00   0.50    0.20    --  115.75 -61.00  60.00   50
 13  ω     41.00  68.00   0.50    0.20    --  115.75 -61.00  90.00   54
 14  ω     42.00  68.00   0.50    0.20    --  115.75 -61.00 150.00   52
 15  ω     41.00  67.00   0.50    0.20    --  115.75 -61.00 -30.00   52
 16  ω     61.00 102.00   0.50    0.20    --  115.75 -95.00-120.00   82
 17  ω     73.00  99.00   0.50    0.20    --  115.75 -95.00-180.00   52
 18  ω     50.00  90.00   0.50    0.20    --  115.75 -95.00  30.00   80
 19  ω     78.00 103.00   0.50    0.20    --  115.75 -95.00  60.00   50
 20  ω     41.00  73.00   0.50    0.20    --  115.75 -95.00  60.00   64
 21  ω     49.00  97.00   0.50    0.20    --  115.75 -95.00 120.00   96
 22  ω     54.00 103.00   0.50    0.20    --  115.75 -95.00 150.00   98
 23  ω    -17.00 122.00   0.50    0.10    --   39.60   8.00 152.00  278
 24  ω    121.00 170.00   0.50    0.20    --  115.75   8.00 152.00   98
 25  ω    133.00 162.00   0.50    0.20    --  115.75  61.00 150.00   58
 26  ω     92.00 126.00   0.50    0.20    --  115.75  61.00 150.00   68
 27  ω     97.00 175.00   0.50    0.20    --  115.75  61.00  90.00  156
 28  ω    107.00 164.00   0.50    0.20    --  115.75  61.00   0.00  114
 29  ω     40.00 112.00   0.50    0.20    --  115.75   8.00 152.00  144
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  14459
_reflns_number_total               15643
_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         'CrysAlisPro 1.171.43.98a (Rigaku OD, 2023)'
_computing_data_collection        
 'CrysAlisPro system (CCD 43.98a 64-bit (release 24-11-2023))'
_computing_data_reduction          'CrysAlisPro 1.171.43.98a (Rigaku OD, 2023)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.405
_refine_diff_density_min           -1.435
_refine_diff_density_rms           0.122
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.037
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1068
_refine_ls_number_reflns           15643
_refine_ls_number_restraints       519
_refine_ls_R_factor_all            0.0505
_refine_ls_R_factor_gt             0.0475
_refine_ls_restrained_S_all        1.037
_refine_ls_shift/su_max            0.004
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.1112P)²+33.8158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1509
_refine_ls_wR_factor_ref           0.1551
_refine_special_details           
 'In the structure, Ge-I2CH3 moiety exhibit a positional disorder, they were separated using PART instruction and refined using a free variable (FVAR). SAME and SADI instructions were applied to fix the disordered parts in reasonable shape and positions, EADP as well as SIMU instructions were used to make the anisotropic displacement parameters of the disordered Ge, I and C atoms within reasonable limits. The final occupancies of 0.9837(7):0.0163(7) have been determined for PART 1 and PART 2, respectively. C57 to C64 and C65 to C72 groups exhibit a positional disorder, they were separated using PART 1 and PART 2 instructions and refined using free variables (FVAR). SAME instruction has been used to fix the disordered parts in reasonable shape and positions, RIGU instruction to make the anisotropic displacement parameters of the disordered parts within reasonable limits. The occupancies of 0.854(8):0.146(8) for C57 to C64 and 0.328(11):0.672(11) for C65 to C72 have been determined for PART 1 and PART 2. In the structure there exist disordered n-hexane molecules, some of the disordered parts were disordered across symmetry element, PART 1, PART -1 and PART -2 were used to separate them. RESI, DFIX, DANG, RIGU, SIMU, ISOR instructions have been used to make the disordered parts of n-hexane reasonable.'
_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
 C2_1-C1_1 = C3_1-C2_1 = C4_1-C3_1 = C5_1-C4_1 = C6_1-C5_1
 C2_2-C1_2 = C3_2-C2_2 = C4_2-C3_2 = C5_2-C4_2 = C6_2-C5_2
 C2_3-C1_3 = C3_3-C2_3 = C4_3-C3_3 = C5_3-C4_3 = C6_3-C5_3
 1.5 with sigma of 0.01
 C3_1-C1_1 = C2_1-C4_1
 C3_2-C1_2 = C2_2-C4_2
 C3_3-C1_3 = C2_3-C4_3
 2.5 with sigma of 0.01
 C3_1-C5_1 = C6_1-C4_1
 C3_2-C5_2 = C6_2-C4_2
 C3_3-C5_3 = C6_3-C4_3
 2.5 with sigma of 0.01
 I1-Ge1 \\sim I1A-Ge1A
 with sigma of 0.02
 I2-Ge1 \\sim I2A-Ge1A
 with sigma of 0.02
 Ge1-C74 \\sim Ge1A-C74A
 with sigma of 0.02
 Ge1-N1 \\sim Ge1A-N1
 with sigma of 0.02
 C74-N1 \\sim C74A-N1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C1_1 \\sim C2_1 \\sim C3_1 \\sim C4_1 \\sim C5_1 \\sim C6_1 \\sim C1_2 \\sim
C2_2 \\sim C3_2 \\sim C4_2 \\sim C5_2 \\sim C6_2 \\sim C1_3 \\sim C2_3 \\sim
C3_3 \\sim C4_3 \\sim C5_3 \\sim C6_3: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C74 \\sim C74A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Ge1 \\sim Ge1A: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C1_3) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C69) \\sim Ueq, Uanis(C57A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1_2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(I1A) = Uanis(I1)
Uanis(I2) = Uanis(I2A)
4. Rigid body (RIGU) restrains
 C57, C58, C59, C60, C61, C62, C63, C64, C65, C66, C67, C68, C69, C70, C71,
 C72, I1A, I2A, Ge1A, C74A, C57A, C58A, C59A, C60A, C61A, C62A, C63A, C64A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C65, C66, C67, C68, C69, C70, C71, C72, I1A, I2A, Ge1A, C74A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C1_1, C2_1, C3_1, C4_1, C5_1, C6_1
 C1_2, C2_2, C3_2, C4_2, C5_2, C6_2
 C1_3, C2_3, C3_3, C4_3, C5_3, C6_3
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Same fragment restrains
{C65A, C66A, C67A, C68A, C69A, C70A, C71A, C72A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{C65, C66, C67, C68, C69, C70, C71, C72}
{C57A, C58A, C59A, C60A, C61A, C62A, C63A, C64A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{C57, C58, C59, C60, C61, C62, C63, C64}
{I1A, I2A, Ge1A, C74A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{I1, I2, Ge1, C74}
6. Others
 Sof(C57A)=Sof(C58A)=Sof(H58D)=Sof(H58E)=Sof(H58F)=Sof(C59A)=Sof(H59D)=
 Sof(H59E)=Sof(H59F)=Sof(C60A)=Sof(H60C)=Sof(H60D)=Sof(C61A)=Sof(C62A)=
 Sof(H62D)=Sof(H62E)=Sof(H62F)=Sof(C63A)=Sof(H63D)=Sof(H63E)=Sof(H63F)=
 Sof(C64A)=Sof(H64C)=Sof(H64D)=1-FVAR(1)
 Sof(C57)=Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(H58C)=Sof(C59)=Sof(H59A)=Sof(H59B)=
 Sof(H59C)=Sof(C60)=Sof(H60A)=Sof(H60B)=Sof(C61)=Sof(C62)=Sof(H62A)=Sof(H62B)=
 Sof(H62C)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(C64)=Sof(H64A)=Sof(H64B)=
 FVAR(1)
 Sof(C65A)=Sof(C66A)=Sof(H66D)=Sof(H66E)=Sof(H66F)=Sof(C67A)=Sof(H67D)=
 Sof(H67E)=Sof(H67F)=Sof(C68A)=Sof(H68C)=Sof(H68D)=Sof(C69A)=Sof(C70A)=
 Sof(H70D)=Sof(H70E)=Sof(H70F)=Sof(C71A)=Sof(H71D)=Sof(H71E)=Sof(H71F)=
 Sof(C72A)=Sof(H72C)=Sof(H72D)=1-FVAR(2)
 Sof(C65)=Sof(C66)=Sof(H66A)=Sof(H66B)=Sof(H66C)=Sof(C67)=Sof(H67A)=Sof(H67B)=
 Sof(H67C)=Sof(C68)=Sof(H68A)=Sof(H68B)=Sof(C69)=Sof(C70)=Sof(H70A)=Sof(H70B)=
 Sof(H70C)=Sof(C71)=Sof(H71A)=Sof(H71B)=Sof(H71C)=Sof(C72)=Sof(H72A)=Sof(H72B)=
 FVAR(2)
 Sof(I1A)=Sof(I2A)=Sof(Ge1A)=Sof(C74A)=Sof(H74D)=Sof(H74E)=Sof(H74F)=1-FVAR(3)
 Sof(I1)=Sof(I2)=Sof(Ge1)=Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=FVAR(3)
 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)=0.5*(1-FVAR(5))
 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)=0.5*FVAR(5)
 Fixed Sof: C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) C2(0.5) H2A(0.5) H2B(0.5)
 C3(0.5) H3A(0.5) H3B(0.5) C4(0.5) H4A(0.5) H4B(0.5) C5(0.5) H5A(0.5) H5B(0.5)
 C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5)
7.a Riding coordinates:
 C74(H74A,H74B,H74C), C74A(H74D,H74E,H74F), C1(H1A,H1B,H1C), C6(H6A,H6B,H6C),
 C1(H1A,H1B,H1C), C6(H6A,H6B,H6C)
7.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C11(H11A,H11B), C31(H31A,H31B), C35(H35A,H35B), C39(H39A,H39B),
 C43(H43A,H43B), C60(H60A,H60B), C64(H64A,H64B), C68(H68A,H68B), C72(H72A,H72B),
  C60A(H60C,H60D), C64A(H64C,H64D), C68A(H68C,H68D), C72A(H72C,H72D), C2(H2A,
 H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), 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.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C17(H17), C20(H20), C23(H23), C26(H26), C46(H46), C49(H49), C52(H52),
 C55(H55)
7.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C41(H41A,H41B,H41C),
 C42(H42A,H42B,H42C), C73(H73A,H73B,H73C), C58(H58A,H58B,H58C), C59(H59A,H59B,
 H59C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C66(H66A,H66B,H66C), C67(H67A,
 H67B,H67C), C70(H70A,H70B,H70C), C71(H71A,H71B,H71C), C58A(H58D,H58E,H58F),
 C59A(H59D,H59E,H59F), C62A(H62D,H62E,H62F), C63A(H63D,H63E,H63F), C66A(H66D,
 H66E,H66F), C67A(H67D,H67E,H67F), C70A(H70D,H70E,H70F), C71A(H71D,H71E,H71F),
 C1(H1A,H1B,H1C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       dual
_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
 N1 N 0.63786(9) 0.34515(17) 0.62693(10) 0.0263(5) Uani 1 1 d D . . . .
 C1 C 0.59197(9) 0.33692(18) 0.59310(11) 0.0204(5) Uani 1 1 d . . . . .
 C2 C 0.56613(9) 0.31658(18) 0.61199(11) 0.0209(5) Uani 1 1 d . . . . .
 C3 C 0.52163(9) 0.31136(19) 0.57992(12) 0.0230(5) Uani 1 1 d . . . . .
 C4 C 0.50185(9) 0.3249(2) 0.52868(11) 0.0238(6) Uani 1 1 d . . . . .
 H4 H 0.471863 0.319410 0.506965 0.029 Uiso 1 1 calc R U . . .
 C5 C 0.52635(9) 0.34644(18) 0.50951(11) 0.0210(5) Uani 1 1 d . . . . .
 C6 C 0.57091(9) 0.35359(18) 0.54083(11) 0.0203(5) Uani 1 1 d . . . . .
 C7 C 0.53621(10) 0.2996(2) 0.66279(12) 0.0271(6) Uani 1 1 d . . . . .
 H7A H 0.534827 0.250476 0.682460 0.032 Uiso 1 1 calc R U . . .
 H7B H 0.533873 0.355949 0.677000 0.032 Uiso 1 1 calc R U . . .
 C8 C 0.49930(10) 0.2917(2) 0.60693(12) 0.0267(6) Uani 1 1 d . . . . .
 C9 C 0.46474(11) 0.3599(2) 0.59431(14) 0.0339(7) Uani 1 1 d . . . . .
 H9A H 0.477402 0.419030 0.603279 0.051 Uiso 1 1 calc R U . . .
 H9B H 0.451691 0.346670 0.613341 0.051 Uiso 1 1 calc R U . . .
 H9C H 0.442977 0.357835 0.558239 0.051 Uiso 1 1 calc R U . . .
 C10 C 0.47864(12) 0.1997(2) 0.59324(15) 0.0362(8) Uani 1 1 d . . . . .
 H10A H 0.457784 0.196589 0.556925 0.054 Uiso 1 1 calc R U . . .
 H10B H 0.464361 0.189144 0.611141 0.054 Uiso 1 1 calc R U . . .
 H10C H 0.500600 0.154739 0.602926 0.054 Uiso 1 1 calc R U . . .
 C11 C 0.54752(9) 0.41258(19) 0.45950(11) 0.0227(5) Uani 1 1 d . . . . .
 H11A H 0.545298 0.477497 0.460950 0.027 Uiso 1 1 calc R U . . .
 H11B H 0.548836 0.397949 0.429888 0.027 Uiso 1 1 calc R U . . .
 C12 C 0.50881(9) 0.36818(19) 0.45490(11) 0.0221(5) Uani 1 1 d . . . . .
 C13 C 0.47132(10) 0.4332(2) 0.43254(12) 0.0281(6) Uani 1 1 d . . . . .
 H13A H 0.446643 0.404103 0.429512 0.042 Uiso 1 1 calc R U . A 2
 H13B H 0.464156 0.452260 0.399239 0.042 Uiso 1 1 calc R U . A 2
 H13C H 0.479259 0.484706 0.454625 0.042 Uiso 1 1 calc R U . A 2
 C14 C 0.49358(10) 0.2849(2) 0.42189(12) 0.0286(6) Uani 1 1 d . . . . .
 H14A H 0.517900 0.246121 0.431990 0.043 Uiso 1 1 calc R U . . .
 H14B H 0.480379 0.301767 0.386578 0.043 Uiso 1 1 calc R U . . .
 H14C H 0.472737 0.253689 0.426051 0.043 Uiso 1 1 calc R U . . .
 C15 C 0.58883(9) 0.37841(18) 0.50897(10) 0.0202(5) Uani 1 1 d . . . . .
 C16 C 0.60842(9) 0.30378(19) 0.49537(11) 0.0214(5) Uani 1 1 d . . . . .
 C17 C 0.59913(9) 0.2143(2) 0.48738(11) 0.0240(6) Uani 1 1 d . . . . .
 H17 H 0.579382 0.189506 0.494075 0.029 Uiso 1 1 calc R U . . .
 C18 C 0.61860(10) 0.1602(2) 0.46953(12) 0.0267(6) Uani 1 1 d . . . . .
 C19 C 0.64777(11) 0.1968(2) 0.45956(13) 0.0292(6) Uani 1 1 d . . . . .
 C20 C 0.65833(10) 0.2867(2) 0.46982(13) 0.0291(6) Uani 1 1 d . . . . .
 H20 H 0.678723 0.311737 0.464267 0.035 Uiso 1 1 calc R U . . .
 C21 C 0.63927(9) 0.33890(19) 0.48789(11) 0.0237(6) Uani 1 1 d . . . . .
 C22 C 0.64719(9) 0.43113(19) 0.50494(11) 0.0236(6) Uani 1 1 d . . . . .
 C23 C 0.67438(10) 0.4931(2) 0.50521(12) 0.0280(6) Uani 1 1 d . . . . .
 H23 H 0.690796 0.478391 0.491538 0.034 Uiso 1 1 calc R U . . .
 C24 C 0.67800(10) 0.5771(2) 0.52538(12) 0.0264(6) Uani 1 1 d . . . . .
 C25 C 0.65355(9) 0.59810(19) 0.54568(11) 0.0231(5) Uani 1 1 d . . . . .
 C26 C 0.62440(9) 0.53530(19) 0.54268(11) 0.0224(5) Uani 1 1 d . . . . .
 H26 H 0.606504 0.550414 0.554285 0.027 Uiso 1 1 calc R U . . .
 C27 C 0.62151(9) 0.45217(19) 0.52310(11) 0.0210(5) Uani 1 1 d . . . . .
 C28 C 0.60508(11) 0.0623(2) 0.45842(14) 0.0336(7) Uani 1 1 d . . . . .
 C29 C 0.60476(18) 0.0179(3) 0.50166(19) 0.0550(11) Uani 1 1 d . . . . .
 H29A H 0.584013 0.047505 0.506620 0.082 Uiso 1 1 calc R U . . .
 H29B H 0.633102 0.022265 0.532517 0.082 Uiso 1 1 calc R U . . .
 H29C H 0.596974 -0.044354 0.493532 0.082 Uiso 1 1 calc R U . . .
 C30 C 0.56035(14) 0.0582(3) 0.41037(19) 0.0535(11) Uani 1 1 d . . . . .
 H30A H 0.551900 -0.003570 0.401347 0.080 Uiso 1 1 calc R U . . .
 H30B H 0.560482 0.087759 0.382908 0.080 Uiso 1 1 calc R U . . .
 H30C H 0.540131 0.087936 0.416202 0.080 Uiso 1 1 calc R U . . .
 C31 C 0.63683(15) 0.0098(3) 0.45153(19) 0.0479(9) Uani 1 1 d . . . . .
 H31A H 0.662928 -0.000754 0.484986 0.057 Uiso 1 1 calc R U . . .
 H31B H 0.624246 -0.048369 0.436683 0.057 Uiso 1 1 calc R U . . .
 C32 C 0.67017(13) 0.1438(3) 0.43903(17) 0.0418(9) Uani 1 1 d . . . . .
 C33 C 0.71704(14) 0.1309(4) 0.4818(3) 0.0709(17) Uani 1 1 d . . . . .
 H33A H 0.732349 0.101462 0.468627 0.106 Uiso 1 1 calc R U . . .
 H33B H 0.718526 0.094500 0.508308 0.106 Uiso 1 1 calc R U . . .
 H33C H 0.730056 0.188529 0.495699 0.106 Uiso 1 1 calc R U . . .
 C34 C 0.6694(2) 0.1948(3) 0.3965(3) 0.0712(17) Uani 1 1 d . . . . .
 H34A H 0.684792 0.250566 0.409663 0.107 Uiso 1 1 calc R U . . .
 H34B H 0.639839 0.207013 0.369622 0.107 Uiso 1 1 calc R U . . .
 H34C H 0.682941 0.159222 0.383145 0.107 Uiso 1 1 calc R U . . .
 C35 C 0.64871(15) 0.0546(3) 0.4191(2) 0.0496(10) Uani 1 1 d . . . . .
 H35A H 0.622752 0.063057 0.385248 0.060 Uiso 1 1 calc R U . . .
 H35B H 0.668132 0.015648 0.415477 0.060 Uiso 1 1 calc R U . . .
 C36 C 0.65958(10) 0.6862(2) 0.57309(12) 0.0256(6) Uani 1 1 d . . . . .
 C37 C 0.61827(12) 0.7230(3) 0.56480(19) 0.0462(10) Uani 1 1 d . . . . .
 H37A H 0.607658 0.683114 0.579999 0.069 Uiso 1 1 calc R U . . .
 H37B H 0.597051 0.727981 0.528666 0.069 Uiso 1 1 calc R U . . .
 H37C H 0.623567 0.781364 0.580425 0.069 Uiso 1 1 calc R U . . .
 C38 C 0.69054(14) 0.6702(3) 0.62934(14) 0.0414(8) Uani 1 1 d . . . . .
 H38A H 0.695593 0.725774 0.647616 0.062 Uiso 1 1 calc R U . . .
 H38B H 0.717494 0.647743 0.635421 0.062 Uiso 1 1 calc R U . . .
 H38C H 0.678362 0.626816 0.641066 0.062 Uiso 1 1 calc R U . . .
 C39 C 0.67784(14) 0.7561(2) 0.55476(17) 0.0402(8) Uani 1 1 d . . . . .
 H39A H 0.655312 0.774666 0.520370 0.048 Uiso 1 1 calc R U . . .
 H39B H 0.686244 0.808569 0.576836 0.048 Uiso 1 1 calc R U . . .
 C40 C 0.70605(12) 0.6450(2) 0.52034(15) 0.0369(8) Uani 1 1 d . . . . .
 C41 C 0.68043(16) 0.6761(3) 0.46432(17) 0.0499(10) Uani 1 1 d . . . . .
 H41A H 0.696983 0.720299 0.459435 0.075 Uiso 1 1 calc R U . . .
 H41B H 0.653388 0.702008 0.456054 0.075 Uiso 1 1 calc R U . . .
 H41C H 0.674870 0.625349 0.442350 0.075 Uiso 1 1 calc R U . . .
 C42 C 0.74757(14) 0.6043(3) 0.53175(19) 0.0483(10) Uani 1 1 d . . . . .
 H42A H 0.741505 0.559568 0.506300 0.072 Uiso 1 1 calc R U . . .
 H42B H 0.762225 0.576555 0.565025 0.072 Uiso 1 1 calc R U . . .
 H42C H 0.765700 0.650380 0.531255 0.072 Uiso 1 1 calc R U . . .
 C43 C 0.71532(13) 0.7248(3) 0.55418(16) 0.0405(8) Uani 1 1 d . . . . .
 H43A H 0.738406 0.709385 0.588903 0.049 Uiso 1 1 calc R U . . .
 H43B H 0.725643 0.773742 0.542769 0.049 Uiso 1 1 calc R U . . .
 C44 C 0.57917(10) 0.29640(18) 0.66581(11) 0.0230(6) Uani 1 1 d . . . . .
 C45 C 0.61105(10) 0.3583(2) 0.70743(11) 0.0236(6) Uani 1 1 d . . . . .
 C46 C 0.60928(10) 0.4487(2) 0.71120(12) 0.0260(6) Uani 1 1 d . . . . .
 H46 H 0.586108 0.480732 0.684700 0.031 Uiso 1 1 calc R U . . .
 C47 C 0.64143(11) 0.4942(2) 0.75387(12) 0.0277(6) Uani 1 1 d . . . . .
 C48 C 0.67503(11) 0.4461(2) 0.79366(12) 0.0294(6) Uani 1 1 d . . . . .
 C49 C 0.67558(10) 0.3543(2) 0.78983(12) 0.0277(6) Uani 1 1 d . . . . .
 H49 H 0.697866 0.321362 0.816810 0.033 Uiso 1 1 calc R U . . .
 C50 C 0.64420(10) 0.31072(19) 0.74738(12) 0.0246(6) Uani 1 1 d . . . . .
 C51 C 0.63796(10) 0.2167(2) 0.73390(12) 0.0256(6) Uani 1 1 d . . . . .
 C52 C 0.66201(10) 0.1437(2) 0.75998(12) 0.0281(6) Uani 1 1 d . . . . .
 H52 H 0.686933 0.150857 0.792549 0.034 Uiso 1 1 calc R U . . .
 C53 C 0.64996(10) 0.0593(2) 0.73882(13) 0.0299(6) Uani 1 1 d . . . . .
 C54 C 0.61294(11) 0.0489(2) 0.69018(14) 0.0322(7) Uani 1 1 d . . . . .
 C55 C 0.58920(10) 0.1248(2) 0.66421(13) 0.0294(6) Uani 1 1 d . . . . .
 H55 H 0.564485 0.118908 0.631355 0.035 Uiso 1 1 calc R U . . .
 C56 C 0.60133(10) 0.20736(19) 0.68578(12) 0.0244(6) Uani 1 1 d . . . . .
 C73 C 0.65489(10) 0.4333(2) 0.64812(12) 0.0284(6) Uani 1 1 d . . . . .
 H73A H 0.673439 0.429027 0.684793 0.043 Uiso 1 1 calc R U . . .
 H73B H 0.631320 0.473618 0.639127 0.043 Uiso 1 1 calc R U . . .
 H73C H 0.671221 0.455755 0.634513 0.043 Uiso 1 1 calc R U . . .
 I1 I 0.73258(2) 0.25553(2) 0.73300(2) 0.03500(9) Uani 0.9837(7) 1 d D . P B 1
 I2 I 0.72227(2) 0.29755(2) 0.60825(2) 0.03978(9) Uani 0.9837(7) 1 d D . P B 1
 Ge1 Ge 0.67573(2) 0.25971(3) 0.64047(2) 0.02558(11) Uani 0.9837(7) 1 d D U P B
 1
 C74 C 0.65187(12) 0.1440(2) 0.61759(16) 0.0388(8) Uani 0.9837(7) 1 d D U P B
 1
 H74A H 0.653912 0.110882 0.645363 0.058 Uiso 0.9837(7) 1 d R U P B 1
 H74B H 0.667702 0.112852 0.605573 0.058 Uiso 0.9837(7) 1 d R U P B 1
 H74C H 0.621962 0.149073 0.590063 0.058 Uiso 0.9837(7) 1 d R U P B 1
 C57 C 0.59804(18) -0.0422(3) 0.6670(2) 0.0409(13) Uani 0.854(8) 1 d D . P C 1
 C58 C 0.56152(17) -0.0704(3) 0.6729(3) 0.0554(14) Uani 0.854(8) 1 d D . P C 1
 H58A H 0.571091 -0.067847 0.708444 0.083 Uiso 0.854(8) 1 calc R U P C 1
 H58B H 0.552881 -0.130922 0.660483 0.083 Uiso 0.854(8) 1 calc R U P C 1
 H58C H 0.537309 -0.030539 0.653479 0.083 Uiso 0.854(8) 1 calc R U P C 1
 C59 C 0.5816(3) -0.0414(5) 0.6104(3) 0.0553(17) Uani 0.854(8) 1 d D . P C 1
 H59A H 0.556279 -0.003930 0.592260 0.083 Uiso 0.854(8) 1 calc R U P C 1
 H59B H 0.574328 -0.101692 0.597076 0.083 Uiso 0.854(8) 1 calc R U P C 1
 H59C H 0.603779 -0.018140 0.605903 0.083 Uiso 0.854(8) 1 calc R U P C 1
 C60 C 0.6350(2) -0.1083(3) 0.6930(2) 0.0488(13) Uani 0.854(8) 1 d D . P C 1
 H60A H 0.623663 -0.168635 0.681435 0.059 Uiso 0.854(8) 1 calc R U P C 1
 H60B H 0.655161 -0.095775 0.682749 0.059 Uiso 0.854(8) 1 calc R U P C 1
 C61 C 0.6799(2) -0.0166(3) 0.7710(2) 0.0329(11) Uani 0.854(8) 1 d D . P C 1
 C62 C 0.6918(2) -0.0113(4) 0.8256(2) 0.0474(13) Uani 0.854(8) 1 d D . P C 1
 H62A H 0.711019 0.038810 0.842472 0.071 Uiso 0.854(8) 1 calc R U P C 1
 H62B H 0.706067 -0.066003 0.843281 0.071 Uiso 0.854(8) 1 calc R U P C 1
 H62C H 0.666032 -0.003212 0.826030 0.071 Uiso 0.854(8) 1 calc R U P C 1
 C63 C 0.7207(3) -0.0097(9) 0.7708(4) 0.0374(17) Uani 0.854(8) 1 d D . P C 1
 H63A H 0.713744 -0.016345 0.736304 0.056 Uiso 0.854(8) 1 calc R U P C 1
 H63B H 0.740541 -0.056395 0.791937 0.056 Uiso 0.854(8) 1 calc R U P C 1
 H63C H 0.733946 0.048061 0.783931 0.056 Uiso 0.854(8) 1 calc R U P C 1
 C64 C 0.65830(15) -0.1057(3) 0.7488(2) 0.0449(12) Uani 0.854(8) 1 d D . P C 1
 H64A H 0.680165 -0.152681 0.762833 0.054 Uiso 0.854(8) 1 calc R U P C 1
 H64B H 0.638146 -0.118303 0.759122 0.054 Uiso 0.854(8) 1 calc R U P C 1
 C65 C 0.7087(5) 0.4928(7) 0.8444(7) 0.028(4) Uani 0.328(11) 1 d D . P D 1
 C66 C 0.7162(9) 0.4416(14) 0.8905(10) 0.045(4) Uani 0.328(11) 1 d D . P D 1
 H66A H 0.688921 0.430784 0.886989 0.068 Uiso 0.328(11) 1 calc R U P D 1
 H66B H 0.734578 0.476365 0.920935 0.068 Uiso 0.328(11) 1 calc R U P D 1
 H66C H 0.729961 0.385154 0.892885 0.068 Uiso 0.328(11) 1 calc R U P D 1
 C67 C 0.7497(4) 0.4976(12) 0.8457(6) 0.043(3) Uani 0.328(11) 1 d D . P D 1
 H67A H 0.756752 0.438871 0.839230 0.064 Uiso 0.328(11) 1 calc R U P D 1
 H67B H 0.772749 0.518142 0.878875 0.064 Uiso 0.328(11) 1 calc R U P D 1
 H67C H 0.746283 0.538830 0.819893 0.064 Uiso 0.328(11) 1 calc R U P D 1
 C68 C 0.6941(3) 0.5860(6) 0.8468(3) 0.031(3) Uani 0.328(11) 1 d D . P D 1
 H68A H 0.670806 0.581821 0.852771 0.037 Uiso 0.328(11) 1 calc R U P D 1
 H68B H 0.718047 0.617666 0.875639 0.037 Uiso 0.328(11) 1 calc R U P D 1
 C69 C 0.6397(4) 0.5981(13) 0.7539(4) 0.029(4) Uani 0.328(11) 1 d D U P D 1
 C70 C 0.6004(5) 0.627(2) 0.7540(7) 0.046(4) Uani 0.328(11) 1 d D . P D 1
 H70A H 0.574958 0.599199 0.725769 0.069 Uiso 0.328(11) 1 calc R U P D 1
 H70B H 0.597487 0.691403 0.750588 0.069 Uiso 0.328(11) 1 calc R U P D 1
 H70C H 0.603641 0.609101 0.785631 0.069 Uiso 0.328(11) 1 calc R U P D 1
 C71 C 0.6366(6) 0.6321(15) 0.7061(5) 0.037(4) Uani 0.328(11) 1 d D . P D 1
 H71A H 0.660881 0.610126 0.705282 0.055 Uiso 0.328(11) 1 calc R U P D 1
 H71B H 0.636903 0.696817 0.706263 0.055 Uiso 0.328(11) 1 calc R U P D 1
 H71C H 0.610129 0.611058 0.676307 0.055 Uiso 0.328(11) 1 calc R U P D 1
 C72 C 0.6790(4) 0.6386(8) 0.7999(4) 0.032(3) Uani 0.328(11) 1 d D . P D 1
 H72A H 0.702118 0.642431 0.793610 0.038 Uiso 0.328(11) 1 calc R U P D 1
 H72B H 0.672137 0.699302 0.804854 0.038 Uiso 0.328(11) 1 calc R U P D 1
 I1A I 0.7223(7) 0.2711(15) 0.7235(6) 0.03500(9) Uani 0.0163(7) 1 d D . P B 2
 I2A I 0.7222(4) 0.2048(10) 0.6077(5) 0.03978(9) Uani 0.0163(7) 1 d D . P B 2
 Ge1A Ge 0.6695(5) 0.2455(11) 0.6312(7) 0.0252(18) Uani 0.0163(7) 1 d D U P B
 2
 C74A C 0.6366(9) 0.1408(13) 0.6226(16) 0.038(15) Uani 0.0163(7) 1 d D U P B
 2
 H74D H 0.630111 0.114967 0.590848 0.057 Uiso 0.0163(7) 1 d R U P B 2
 H74E H 0.610601 0.165597 0.618268 0.057 Uiso 0.0163(7) 1 d R U P B 2
 H74F H 0.647921 0.095027 0.648648 0.057 Uiso 0.0163(7) 1 d R U P B 2
 C57A C 0.5909(5) -0.0379(15) 0.6563(9) 0.029(6) Uani 0.146(8) 1 d D U P C 2
 C58A C 0.5435(5) -0.0457(13) 0.6370(10) 0.035(6) Uani 0.146(8) 1 d D . P C 2
 H58D H 0.538997 -0.026929 0.663376 0.053 Uiso 0.146(8) 1 calc R U P C 2
 H58E H 0.534364 -0.107207 0.627869 0.053 Uiso 0.146(8) 1 calc R U P C 2
 H58F H 0.526869 -0.008010 0.607352 0.053 Uiso 0.146(8) 1 calc R U P C 2
 C59A C 0.5965(10) -0.038(3) 0.6114(10) 0.038(7) Uani 0.146(8) 1 d D . P C 2
 H59D H 0.577061 0.004946 0.586274 0.057 Uiso 0.146(8) 1 calc R U P C 2
 H59E H 0.590241 -0.097040 0.596295 0.057 Uiso 0.146(8) 1 calc R U P C 2
 H59F H 0.625906 -0.022175 0.623208 0.057 Uiso 0.146(8) 1 calc R U P C 2
 C60A C 0.6153(6) -0.1166(13) 0.6904(9) 0.039(6) Uani 0.146(8) 1 d D . P C 2
 H60C H 0.604784 -0.128315 0.712539 0.047 Uiso 0.146(8) 1 calc R U P C 2
 H60D H 0.609415 -0.169506 0.669228 0.047 Uiso 0.146(8) 1 calc R U P C 2
 C61A C 0.6751(9) -0.0245(16) 0.7584(9) 0.032(7) Uani 0.146(8) 1 d D . P C 2
 C62A C 0.6705(9) -0.0508(19) 0.8020(10) 0.044(6) Uani 0.146(8) 1 d D . P C 2
 H62D H 0.683901 -0.005878 0.828464 0.065 Uiso 0.146(8) 1 calc R U P C 2
 H62E H 0.684363 -0.107889 0.815622 0.065 Uiso 0.146(8) 1 calc R U P C 2
 H62F H 0.640269 -0.055427 0.789828 0.065 Uiso 0.146(8) 1 calc R U P C 2
 C63A C 0.7219(13) -0.002(4) 0.7798(18) 0.029(9) Uani 0.146(8) 1 d D . P C 2
 H63D H 0.725897 0.009420 0.752101 0.043 Uiso 0.146(8) 1 calc R U P C 2
 H63E H 0.740003 -0.051053 0.800149 0.043 Uiso 0.146(8) 1 calc R U P C 2
 H63F H 0.729745 0.051311 0.800817 0.043 Uiso 0.146(8) 1 calc R U P C 2
 C64A C 0.6620(5) -0.1024(13) 0.7220(9) 0.036(5) Uani 0.146(8) 1 d D . P C 2
 H64C H 0.672627 -0.092075 0.699803 0.043 Uiso 0.146(8) 1 calc R U P C 2
 H64D H 0.675684 -0.156755 0.741559 0.043 Uiso 0.146(8) 1 calc R U P C 2
 C65A C 0.7131(3) 0.4884(5) 0.8398(4) 0.041(3) Uani 0.672(11) 1 d D . P D 2
 C66A C 0.7091(5) 0.4677(9) 0.8846(6) 0.068(4) Uani 0.672(11) 1 d D . P D 2
 H66D H 0.684318 0.498494 0.880338 0.102 Uiso 0.672(11) 1 calc R U P D 2
 H66E H 0.734821 0.487424 0.915805 0.102 Uiso 0.672(11) 1 calc R U P D 2
 H66F H 0.705618 0.403903 0.886305 0.102 Uiso 0.672(11) 1 calc R U P D 2
 C67A C 0.7552(2) 0.4534(7) 0.8501(3) 0.055(2) Uani 0.672(11) 1 d D . P D 2
 H67D H 0.758358 0.391274 0.860229 0.082 Uiso 0.672(11) 1 calc R U P D 2
 H67E H 0.778581 0.487858 0.877164 0.082 Uiso 0.672(11) 1 calc R U P D 2
 H67F H 0.755702 0.458449 0.819600 0.082 Uiso 0.672(11) 1 calc R U P D 2
 C68A C 0.7125(2) 0.5884(4) 0.8330(2) 0.052(2) Uani 0.672(11) 1 d D . P D 2
 H68C H 0.730817 0.616318 0.866357 0.063 Uiso 0.672(11) 1 calc R U P D 2
 H68D H 0.724850 0.602114 0.812841 0.063 Uiso 0.672(11) 1 calc R U P D 2
 C69A C 0.6390(3) 0.5936(8) 0.7543(3) 0.039(3) Uani 0.672(11) 1 d D . P D 2
 C70A C 0.5939(3) 0.6257(9) 0.7363(4) 0.046(2) Uani 0.672(11) 1 d D . P D 2
 H70D H 0.574585 0.611605 0.700556 0.069 Uiso 0.672(11) 1 calc R U P D 2
 H70E H 0.594270 0.689690 0.741041 0.069 Uiso 0.672(11) 1 calc R U P D 2
 H70F H 0.584028 0.596223 0.755732 0.069 Uiso 0.672(11) 1 calc R U P D 2
 C71A C 0.6523(3) 0.6312(8) 0.7194(3) 0.042(2) Uani 0.672(11) 1 d D . P D 2
 H71D H 0.680308 0.607729 0.729582 0.063 Uiso 0.672(11) 1 calc R U P D 2
 H71E H 0.653770 0.695722 0.721927 0.063 Uiso 0.672(11) 1 calc R U P D 2
 H71F H 0.631406 0.613891 0.684608 0.063 Uiso 0.672(11) 1 calc R U P D 2
 C72A C 0.6690(3) 0.6280(5) 0.8077(3) 0.050(2) Uani 0.672(11) 1 d D . P D 2
 H72C H 0.671350 0.692915 0.806506 0.060 Uiso 0.672(11) 1 calc R U P D 2
 H72D H 0.656728 0.614820 0.827884 0.060 Uiso 0.672(11) 1 calc R U P D 2
 C1_1 C 0.6247(4) 0.1807(11) 0.8449(4) 0.090(3) Uani 0.5 1 d D U P E -1
 H1A_1 H 0.651196 0.161295 0.848368 0.135 Uiso 0.5 1 calc R U P E -1
 H1B_1 H 0.622780 0.155142 0.871992 0.135 Uiso 0.5 1 calc R U P E -1
 H1C_1 H 0.624508 0.245224 0.846745 0.135 Uiso 0.5 1 calc R U P E -1
 C2_1 C 0.5886(5) 0.1514(12) 0.7965(5) 0.121(4) Uani 0.5 1 d D U P E -1
 H2A_1 H 0.598751 0.149861 0.773401 0.145 Uiso 0.5 1 calc R U P E -1
 H2B_1 H 0.567438 0.199753 0.784391 0.145 Uiso 0.5 1 calc R U P E -1
 C3_1 C 0.5645(3) 0.0695(10) 0.7873(5) 0.116(4) Uani 0.5 1 d D U P E -1
 H3A_1 H 0.560251 0.060505 0.815195 0.139 Uiso 0.5 1 calc R U P E -1
 H3B_1 H 0.581816 0.019577 0.787749 0.139 Uiso 0.5 1 calc R U P E -1
 C4_1 C 0.5218(3) 0.0670(11) 0.7384(4) 0.091(3) Uani 0.5 1 d D U P E -1
 H4A_1 H 0.521370 0.112404 0.715639 0.110 Uiso 0.5 1 calc R U P E -1
 H4B_1 H 0.518337 0.008736 0.722437 0.110 Uiso 0.5 1 calc R U P E -1
 C5_1 C 0.4847(3) 0.0823(11) 0.7434(5) 0.084(3) Uani 0.5 1 d D U P E -1
 H5A_1 H 0.493490 0.122176 0.772190 0.101 Uiso 0.5 1 calc R U P E -1
 H5B_1 H 0.476100 0.025335 0.750662 0.101 Uiso 0.5 1 calc R U P E -1
 C6_1 C 0.4467(3) 0.1223(9) 0.6964(4) 0.079(3) Uani 0.5 1 d D U P E -1
 H6A_1 H 0.424509 0.077342 0.678895 0.118 Uiso 0.5 1 calc R U P E -1
 H6B_1 H 0.455487 0.143609 0.674192 0.118 Uiso 0.5 1 calc R U P E -1
 H6C_1 H 0.435515 0.171673 0.705910 0.118 Uiso 0.5 1 calc R U P E -1
 C1_2 C 0.5239(16) 0.396(2) 0.7704(19) 0.078(6) Uani 0.123(5) 1 d D U P F -2
 H1A_2 H 0.522521 0.348870 0.790477 0.116 Uiso 0.123(5) 1 d R U P F -2
 H1B_2 H 0.495061 0.414610 0.744227 0.116 Uiso 0.123(5) 1 d R U P F -2
 H1C_2 H 0.538831 0.375170 0.754717 0.116 Uiso 0.123(5) 1 d R U P F -2
 C2_2 C 0.5478(13) 0.474(2) 0.8038(17) 0.095(4) Uani 0.123(5) 1 d D U P F -2
 H2A_2 H 0.561885 0.454955 0.839325 0.114 Uiso 0.123(5) 1 calc R U P F -2
 H2B_2 H 0.570220 0.491640 0.798010 0.114 Uiso 0.123(5) 1 calc R U P F -2
 C3_2 C 0.5197(17) 0.551(2) 0.795(2) 0.102(5) Uani 0.123(5) 1 d D U P F -2
 H3A_2 H 0.524047 0.569850 0.827279 0.122 Uiso 0.123(5) 1 calc R U P F -2
 H3B_2 H 0.489656 0.532899 0.772517 0.122 Uiso 0.123(5) 1 calc R U P F -2
 C4_2 C 0.5279(19) 0.629(2) 0.7716(17) 0.097(6) Uani 0.123(5) 1 d D U P F -2
 H4A_2 H 0.552294 0.614744 0.768711 0.116 Uiso 0.123(5) 1 calc R U P F -2
 H4B_2 H 0.502679 0.637791 0.737244 0.116 Uiso 0.123(5) 1 calc R U P F -2
 C5_2 C 0.5370(13) 0.712(2) 0.8010(16) 0.086(6) Uani 0.123(5) 1 d D U P F -2
 H5A_2 H 0.540406 0.698088 0.833495 0.103 Uiso 0.123(5) 1 calc R U P F -2
 H5B_2 H 0.564358 0.736512 0.808293 0.103 Uiso 0.123(5) 1 calc R U P F -2
 C6_2 C 0.5036(16) 0.781(2) 0.775(2) 0.082(8) Uani 0.123(5) 1 d D U P F -2
 H6A_2 H 0.521071 0.832907 0.792395 0.123 Uiso 0.123(5) 1 d R U P F -2
 H6B_2 H 0.480881 0.776027 0.781455 0.123 Uiso 0.123(5) 1 d R U P F -2
 H6C_2 H 0.491171 0.786757 0.738805 0.123 Uiso 0.123(5) 1 d R U P F -2
 C1_3 C 0.5891(8) 0.2872(10) 0.8189(9) 0.112(5) Uani 0.377(5) 1 d D U P E 1
 H1A_3 H 0.574538 0.234228 0.799283 0.168 Uiso 0.377(5) 1 d R U P F 1
 H1B_3 H 0.596528 0.279478 0.853513 0.168 Uiso 0.377(5) 1 d R U P F 1
 H1C_3 H 0.615038 0.296798 0.819003 0.168 Uiso 0.377(5) 1 d R U P F 1
 C2_3 C 0.5606(6) 0.3673(9) 0.7971(7) 0.106(4) Uani 0.377(5) 1 d D U P E 1
 H2A_3 H 0.554098 0.378799 0.762802 0.127 Uiso 0.377(5) 1 calc R U P F 1
 H2B_3 H 0.533494 0.356039 0.794628 0.127 Uiso 0.377(5) 1 calc R U P F 1
 C3_3 C 0.5820(5) 0.4462(8) 0.8296(6) 0.094(3) Uani 0.377(5) 1 d D U P E 1
 H3A_3 H 0.595542 0.428233 0.865142 0.113 Uiso 0.377(5) 1 calc R U P F 1
 H3B_3 H 0.604926 0.465398 0.824894 0.113 Uiso 0.377(5) 1 calc R U P F 1
 C4_3 C 0.5541(5) 0.5223(9) 0.8201(7) 0.098(3) Uani 0.377(5) 1 d D U P E 1
 H4A_3 H 0.530643 0.503140 0.823840 0.117 Uiso 0.377(5) 1 calc R U P F 1
 H4B_3 H 0.541274 0.542027 0.784912 0.117 Uiso 0.377(5) 1 calc R U P F 1
 C5_3 C 0.5763(4) 0.5988(8) 0.8543(4) 0.076(3) Uani 0.377(5) 1 d D U P E 1
 H5A_3 H 0.600950 0.614977 0.852246 0.091 Uiso 0.377(5) 1 calc R U P F 1
 H5B_3 H 0.587533 0.579714 0.889278 0.091 Uiso 0.377(5) 1 calc R U P F 1
 C6_3 C 0.5495(4) 0.6792(8) 0.8436(4) 0.072(3) Uani 0.377(5) 1 d D U P E 1
 H6A_3 H 0.553505 0.701760 0.874872 0.109 Uiso 0.377(5) 1 d R U P F 1
 H6B_3 H 0.519795 0.661240 0.820742 0.109 Uiso 0.377(5) 1 d R U P F 1
 H6C_3 H 0.556555 0.725500 0.827662 0.109 Uiso 0.377(5) 1 d R U P F 1


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 N1 C1 1.456(4) . ?
 N1 C73 1.475(4) . ?
 N1 Ge1 1.791(3) . ?
 N1 Ge1A 1.877(14) . ?
 C1 C2 1.419(4) . ?
 C1 C6 1.418(4) . ?
 C2 C3 1.406(4) . ?
 C2 C44 1.527(4) . ?
 C3 C4 1.386(4) . ?
 C3 C8 1.514(4) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.385(4) . ?
 C5 C6 1.408(4) . ?
 C5 C12 1.516(4) . ?
 C6 C15 1.530(4) . ?
 C7 H7A 0.9900 . ?
 C7 H7B 0.9900 . ?
 C7 C8 1.550(5) . ?
 C7 C44 1.559(4) . ?
 C8 C9 1.530(4) . ?
 C8 C10 1.538(4) . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C11 H11A 0.9900 . ?
 C11 H11B 0.9900 . ?
 C11 C12 1.531(4) . ?
 C11 C15 1.577(4) . ?
 C12 C13 1.537(4) . ?
 C12 C14 1.537(4) . ?
 C13 H13A 0.9800 . ?
 C13 H13B 0.9800 . ?
 C13 H13C 0.9800 . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C15 C16 1.531(4) . ?
 C15 C27 1.534(4) . ?
 C16 C17 1.387(4) . ?
 C16 C21 1.403(4) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.404(4) . ?
 C18 C19 1.405(5) . ?
 C18 C28 1.544(4) . ?
 C19 C20 1.407(5) . ?
 C19 C32 1.536(4) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.379(4) . ?
 C21 C22 1.469(4) . ?
 C22 C23 1.381(4) . ?
 C22 C27 1.398(4) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.397(4) . ?
 C24 C25 1.410(4) . ?
 C24 C40 1.539(4) . ?
 C25 C26 1.412(4) . ?
 C25 C36 1.541(4) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.382(4) . ?
 C28 C29 1.531(6) . ?
 C28 C30 1.536(6) . ?
 C28 C31 1.540(5) . ?
 C29 H29A 0.9800 . ?
 C29 H29B 0.9800 . ?
 C29 H29C 0.9800 . ?
 C30 H30A 0.9800 . ?
 C30 H30B 0.9800 . ?
 C30 H30C 0.9800 . ?
 C31 H31A 0.9900 . ?
 C31 H31B 0.9900 . ?
 C31 C35 1.486(7) . ?
 C32 C33 1.541(7) . ?
 C32 C34 1.537(7) . ?
 C32 C35 1.524(5) . ?
 C33 H33A 0.9800 . ?
 C33 H33B 0.9800 . ?
 C33 H33C 0.9800 . ?
 C34 H34A 0.9800 . ?
 C34 H34B 0.9800 . ?
 C34 H34C 0.9800 . ?
 C35 H35A 0.9900 . ?
 C35 H35B 0.9900 . ?
 C36 C37 1.526(5) . ?
 C36 C38 1.529(5) . ?
 C36 C39 1.535(5) . ?
 C37 H37A 0.9800 . ?
 C37 H37B 0.9800 . ?
 C37 H37C 0.9800 . ?
 C38 H38A 0.9800 . ?
 C38 H38B 0.9800 . ?
 C38 H38C 0.9800 . ?
 C39 H39A 0.9900 . ?
 C39 H39B 0.9900 . ?
 C39 C43 1.490(6) . ?
 C40 C41 1.563(6) . ?
 C40 C42 1.523(6) . ?
 C40 C43 1.525(5) . ?
 C41 H41A 0.9800 . ?
 C41 H41B 0.9800 . ?
 C41 H41C 0.9800 . ?
 C42 H42A 0.9800 . ?
 C42 H42B 0.9800 . ?
 C42 H42C 0.9800 . ?
 C43 H43A 0.9900 . ?
 C43 H43B 0.9900 . ?
 C44 C45 1.528(4) . ?
 C44 C56 1.529(4) . ?
 C45 C46 1.380(4) . ?
 C45 C50 1.399(4) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.409(5) . ?
 C47 C48 1.408(5) . ?
 C47 C69 1.57(2) . ?
 C47 C69A 1.509(12) . ?
 C48 C49 1.397(5) . ?
 C48 C65 1.573(18) . ?
 C48 C65A 1.523(11) . ?
 C49 H49 0.9500 . ?
 C49 C50 1.382(4) . ?
 C50 C51 1.468(4) . ?
 C51 C52 1.382(4) . ?
 C51 C56 1.399(5) . ?
 C52 H52 0.9500 . ?
 C52 C53 1.399(5) . ?
 C53 C54 1.415(5) . ?
 C53 C61 1.543(6) . ?
 C53 C61A 1.50(3) . ?
 C54 C55 1.413(5) . ?
 C54 C57 1.521(7) . ?
 C54 C57A 1.61(3) . ?
 C55 H55 0.9500 . ?
 C55 C56 1.378(4) . ?
 C73 H73A 0.9800 . ?
 C73 H73B 0.9800 . ?
 C73 H73C 0.9800 . ?
 I1 Ge1 2.5213(5) . ?
 I2 Ge1 2.5154(5) . ?
 Ge1 C74 1.922(4) . ?
 C74 H74A 0.9785 . ?
 C74 H74B 0.9812 . ?
 C74 H74C 0.9804 . ?
 C57 C58 1.537(7) . ?
 C57 C59 1.547(8) . ?
 C57 C60 1.535(7) . ?
 C58 H58A 0.9800 . ?
 C58 H58B 0.9800 . ?
 C58 H58C 0.9800 . ?
 C59 H59A 0.9800 . ?
 C59 H59B 0.9800 . ?
 C59 H59C 0.9800 . ?
 C60 H60A 0.9900 . ?
 C60 H60B 0.9900 . ?
 C60 C64 1.486(8) . ?
 C61 C62 1.535(7) . ?
 C61 C63 1.536(6) . ?
 C61 C64 1.534(7) . ?
 C62 H62A 0.9800 . ?
 C62 H62B 0.9800 . ?
 C62 H62C 0.9800 . ?
 C63 H63A 0.9800 . ?
 C63 H63B 0.9800 . ?
 C63 H63C 0.9800 . ?
 C64 H64A 0.9900 . ?
 C64 H64B 0.9900 . ?
 C65 C66 1.537(11) . ?
 C65 C67 1.518(12) . ?
 C65 C68 1.529(10) . ?
 C66 H66A 0.9800 . ?
 C66 H66B 0.9800 . ?
 C66 H66C 0.9800 . ?
 C67 H67A 0.9800 . ?
 C67 H67B 0.9800 . ?
 C67 H67C 0.9800 . ?
 C68 H68A 0.9900 . ?
 C68 H68B 0.9900 . ?
 C68 C72 1.499(10) . ?
 C69 C70 1.537(10) . ?
 C69 C71 1.544(9) . ?
 C69 C72 1.528(9) . ?
 C70 H70A 0.9800 . ?
 C70 H70B 0.9800 . ?
 C70 H70C 0.9800 . ?
 C71 H71A 0.9800 . ?
 C71 H71B 0.9800 . ?
 C71 H71C 0.9800 . ?
 C72 H72A 0.9900 . ?
 C72 H72B 0.9900 . ?
 I1A Ge1A 2.518(9) . ?
 I2A Ge1A 2.532(9) . ?
 Ge1A C74A 1.934(10) . ?
 C74A H74D 0.9800 . ?
 C74A H74E 0.9802 . ?
 C74A H74F 0.9803 . ?
 C57A C58A 1.536(11) . ?
 C57A C59A 1.545(12) . ?
 C57A C60A 1.533(11) . ?
 C58A H58D 0.9800 . ?
 C58A H58E 0.9800 . ?
 C58A H58F 0.9800 . ?
 C59A H59D 0.9800 . ?
 C59A H59E 0.9800 . ?
 C59A H59F 0.9800 . ?
 C60A H60C 0.9900 . ?
 C60A H60D 0.9900 . ?
 C60A C64A 1.483(12) . ?
 C61A C62A 1.534(12) . ?
 C61A C63A 1.537(11) . ?
 C61A C64A 1.533(11) . ?
 C62A H62D 0.9800 . ?
 C62A H62E 0.9800 . ?
 C62A H62F 0.9800 . ?
 C63A H63D 0.9800 . ?
 C63A H63E 0.9800 . ?
 C63A H63F 0.9800 . ?
 C64A H64C 0.9900 . ?
 C64A H64D 0.9900 . ?
 C65A C66A 1.537(8) . ?
 C65A C67A 1.520(10) . ?
 C65A C68A 1.530(8) . ?
 C66A H66D 0.9800 . ?
 C66A H66E 0.9800 . ?
 C66A H66F 0.9800 . ?
 C67A H67D 0.9800 . ?
 C67A H67E 0.9800 . ?
 C67A H67F 0.9800 . ?
 C68A H68C 0.9900 . ?
 C68A H68D 0.9900 . ?
 C68A C72A 1.496(9) . ?
 C69A C70A 1.538(8) . ?
 C69A C71A 1.548(7) . ?
 C69A C72A 1.526(7) . ?
 C70A H70D 0.9800 . ?
 C70A H70E 0.9800 . ?
 C70A H70F 0.9800 . ?
 C71A H71D 0.9800 . ?
 C71A H71E 0.9800 . ?
 C71A H71F 0.9800 . ?
 C72A H72C 0.9900 . ?
 C72A H72D 0.9900 . ?
 C1_1 H1A_1 0.9800 . ?
 C1_1 H1B_1 0.9800 . ?
 C1_1 H1C_1 0.9800 . ?
 C1_1 C2_1 1.459(9) . ?
 C1_1 C1_3 1.97(2) . ?
 C2_1 H2A_1 0.9900 . ?
 C2_1 H2B_1 0.9900 . ?
 C2_1 C3_1 1.466(9) . ?
 C3_1 H3A_1 0.9900 . ?
 C3_1 H3B_1 0.9900 . ?
 C3_1 C4_1 1.507(9) . ?
 C4_1 H4A_1 0.9900 . ?
 C4_1 H4B_1 0.9900 . ?
 C4_1 C5_1 1.499(9) . ?
 C5_1 H5A_1 0.9900 . ?
 C5_1 H5B_1 0.9900 . ?
 C5_1 C6_1 1.519(9) . ?
 C6_1 H6A_1 0.9800 . ?
 C6_1 H6B_1 0.9800 . ?
 C6_1 H6C_1 0.9800 . ?
 C1_2 H1A_2 0.9801 . ?
 C1_2 H1B_2 0.9798 . ?
 C1_2 H1C_2 0.9800 . ?
 C1_2 C2_2 1.503(10) . ?
 C2_2 H2A_2 0.9900 . ?
 C2_2 H2B_2 0.9900 . ?
 C2_2 C3_2 1.499(10) . ?
 C3_2 H3A_2 0.9900 . ?
 C3_2 H3B_2 0.9900 . ?
 C3_2 C4_2 1.499(10) . ?
 C4_2 H4A_2 0.9900 . ?
 C4_2 H4B_2 0.9900 . ?
 C4_2 C5_2 1.496(10) . ?
 C5_2 H5A_2 0.9900 . ?
 C5_2 H5B_2 0.9900 . ?
 C5_2 C6_2 1.486(10) . ?
 C6_2 H6A_2 0.9801 . ?
 C6_2 H6B_2 0.9796 . ?
 C6_2 H6C_2 0.9801 . ?
 C1_3 H1A_3 0.9802 . ?
 C1_3 H1B_3 0.9798 . ?
 C1_3 H1C_3 0.9802 . ?
 C1_3 C2_3 1.513(10) . ?
 C2_3 H2A_3 0.9900 . ?
 C2_3 H2B_3 0.9900 . ?
 C2_3 C3_3 1.495(10) . ?
 C3_3 H3A_3 0.9900 . ?
 C3_3 H3B_3 0.9900 . ?
 C3_3 C4_3 1.474(9) . ?
 C4_3 H4A_3 0.9900 . ?
 C4_3 H4B_3 0.9900 . ?
 C4_3 C5_3 1.494(9) . ?
 C5_3 H5A_3 0.9900 . ?
 C5_3 H5B_3 0.9900 . ?
 C5_3 C6_3 1.496(9) . ?
 C6_3 H6A_3 0.9798 . ?
 C6_3 H6B_3 0.9799 . ?
 C6_3 H6C_3 0.9802 . ?

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
 C1 N1 C73 117.3(2) . . ?
 C1 N1 Ge1 125.40(19) . . ?
 C1 N1 Ge1A 115.5(6) . . ?
 C73 N1 Ge1 117.0(2) . . ?
 C73 N1 Ge1A 126.5(6) . . ?
 C2 C1 N1 120.7(3) . . ?
 C6 C1 N1 122.1(2) . . ?
 C6 C1 C2 117.1(2) . . ?
 C1 C2 C44 129.4(3) . . ?
 C3 C2 C1 121.2(3) . . ?
 C3 C2 C44 109.4(2) . . ?
 C2 C3 C8 113.8(3) . . ?
 C4 C3 C2 120.6(3) . . ?
 C4 C3 C8 125.6(3) . . ?
 C3 C4 H4 120.4 . . ?
 C5 C4 C3 119.1(3) . . ?
 C5 C4 H4 120.4 . . ?
 C4 C5 C6 121.5(3) . . ?
 C4 C5 C12 124.8(3) . . ?
 C6 C5 C12 113.7(2) . . ?
 C1 C6 C15 130.4(2) . . ?
 C5 C6 C1 120.3(3) . . ?
 C5 C6 C15 109.3(2) . . ?
 H7A C7 H7B 108.3 . . ?
 C8 C7 H7A 110.0 . . ?
 C8 C7 H7B 110.0 . . ?
 C8 C7 C44 108.6(2) . . ?
 C44 C7 H7A 110.0 . . ?
 C44 C7 H7B 110.0 . . ?
 C3 C8 C7 101.9(2) . . ?
 C3 C8 C9 111.6(3) . . ?
 C3 C8 C10 111.5(3) . . ?
 C9 C8 C7 110.5(3) . . ?
 C9 C8 C10 108.3(3) . . ?
 C10 C8 C7 113.1(3) . . ?
 C8 C9 H9A 109.5 . . ?
 C8 C9 H9B 109.5 . . ?
 C8 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C8 C10 H10A 109.5 . . ?
 C8 C10 H10B 109.5 . . ?
 C8 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 H11A C11 H11B 108.4 . . ?
 C12 C11 H11A 110.0 . . ?
 C12 C11 H11B 110.0 . . ?
 C12 C11 C15 108.5(2) . . ?
 C15 C11 H11A 110.0 . . ?
 C15 C11 H11B 110.0 . . ?
 C5 C12 C11 100.6(2) . . ?
 C5 C12 C13 112.8(2) . . ?
 C5 C12 C14 111.6(2) . . ?
 C11 C12 C13 110.0(2) . . ?
 C11 C12 C14 114.1(2) . . ?
 C14 C12 C13 107.6(2) . . ?
 C12 C13 H13A 109.5 . . ?
 C12 C13 H13B 109.5 . . ?
 C12 C13 H13C 109.5 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 C12 C14 H14A 109.5 . . ?
 C12 C14 H14B 109.5 . . ?
 C12 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C6 C15 C11 101.0(2) . . ?
 C6 C15 C16 116.9(2) . . ?
 C6 C15 C27 123.5(2) . . ?
 C16 C15 C11 108.9(2) . . ?
 C16 C15 C27 101.1(2) . . ?
 C27 C15 C11 104.4(2) . . ?
 C17 C16 C15 131.4(3) . . ?
 C17 C16 C21 119.2(3) . . ?
 C21 C16 C15 109.3(2) . . ?
 C16 C17 H17 119.6 . . ?
 C16 C17 C18 120.7(3) . . ?
 C18 C17 H17 119.6 . . ?
 C17 C18 C19 119.7(3) . . ?
 C17 C18 C28 118.4(3) . . ?
 C19 C18 C28 121.8(3) . . ?
 C18 C19 C20 119.1(3) . . ?
 C18 C19 C32 123.9(3) . . ?
 C20 C19 C32 117.0(3) . . ?
 C19 C20 H20 119.8 . . ?
 C21 C20 C19 120.5(3) . . ?
 C21 C20 H20 119.8 . . ?
 C16 C21 C22 108.6(3) . . ?
 C20 C21 C16 120.7(3) . . ?
 C20 C21 C22 130.6(3) . . ?
 C23 C22 C21 130.5(3) . . ?
 C23 C22 C27 120.7(3) . . ?
 C27 C22 C21 108.7(3) . . ?
 C22 C23 H23 119.7 . . ?
 C22 C23 C24 120.7(3) . . ?
 C24 C23 H23 119.7 . . ?
 C23 C24 C25 119.2(3) . . ?
 C23 C24 C40 117.7(3) . . ?
 C25 C24 C40 122.9(3) . . ?
 C24 C25 C26 119.1(3) . . ?
 C24 C25 C36 121.3(3) . . ?
 C26 C25 C36 119.6(3) . . ?
 C25 C26 H26 119.5 . . ?
 C27 C26 C25 120.9(3) . . ?
 C27 C26 H26 119.5 . . ?
 C22 C27 C15 109.3(2) . . ?
 C26 C27 C15 130.6(3) . . ?
 C26 C27 C22 119.2(3) . . ?
 C29 C28 C18 112.2(3) . . ?
 C29 C28 C30 109.6(4) . . ?
 C29 C28 C31 106.3(3) . . ?
 C30 C28 C18 108.1(3) . . ?
 C30 C28 C31 110.5(3) . . ?
 C31 C28 C18 110.2(3) . . ?
 C28 C29 H29A 109.5 . . ?
 C28 C29 H29B 109.5 . . ?
 C28 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 C28 C30 H30A 109.5 . . ?
 C28 C30 H30B 109.5 . . ?
 C28 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C28 C31 H31A 108.8 . . ?
 C28 C31 H31B 108.8 . . ?
 H31A C31 H31B 107.7 . . ?
 C35 C31 C28 113.9(4) . . ?
 C35 C31 H31A 108.8 . . ?
 C35 C31 H31B 108.8 . . ?
 C19 C32 C33 108.5(3) . . ?
 C19 C32 C34 110.6(3) . . ?
 C34 C32 C33 107.8(4) . . ?
 C35 C32 C19 110.6(3) . . ?
 C35 C32 C33 110.2(4) . . ?
 C35 C32 C34 109.1(4) . . ?
 C32 C33 H33A 109.5 . . ?
 C32 C33 H33B 109.5 . . ?
 C32 C33 H33C 109.5 . . ?
 H33A C33 H33B 109.5 . . ?
 H33A C33 H33C 109.5 . . ?
 H33B C33 H33C 109.5 . . ?
 C32 C34 H34A 109.5 . . ?
 C32 C34 H34B 109.5 . . ?
 C32 C34 H34C 109.5 . . ?
 H34A C34 H34B 109.5 . . ?
 H34A C34 H34C 109.5 . . ?
 H34B C34 H34C 109.5 . . ?
 C31 C35 C32 114.0(4) . . ?
 C31 C35 H35A 108.7 . . ?
 C31 C35 H35B 108.7 . . ?
 C32 C35 H35A 108.7 . . ?
 C32 C35 H35B 108.7 . . ?
 H35A C35 H35B 107.6 . . ?
 C37 C36 C25 113.2(3) . . ?
 C37 C36 C38 108.4(3) . . ?
 C37 C36 C39 107.5(3) . . ?
 C38 C36 C25 107.8(3) . . ?
 C38 C36 C39 109.8(3) . . ?
 C39 C36 C25 110.1(3) . . ?
 C36 C37 H37A 109.5 . . ?
 C36 C37 H37B 109.5 . . ?
 C36 C37 H37C 109.5 . . ?
 H37A C37 H37B 109.5 . . ?
 H37A C37 H37C 109.5 . . ?
 H37B C37 H37C 109.5 . . ?
 C36 C38 H38A 109.5 . . ?
 C36 C38 H38B 109.5 . . ?
 C36 C38 H38C 109.5 . . ?
 H38A C38 H38B 109.5 . . ?
 H38A C38 H38C 109.5 . . ?
 H38B C38 H38C 109.5 . . ?
 C36 C39 H39A 108.8 . . ?
 C36 C39 H39B 108.8 . . ?
 H39A C39 H39B 107.7 . . ?
 C43 C39 C36 113.6(3) . . ?
 C43 C39 H39A 108.8 . . ?
 C43 C39 H39B 108.8 . . ?
 C24 C40 C41 106.6(3) . . ?
 C42 C40 C24 111.7(3) . . ?
 C42 C40 C41 108.1(3) . . ?
 C42 C40 C43 109.9(3) . . ?
 C43 C40 C24 111.4(3) . . ?
 C43 C40 C41 109.0(3) . . ?
 C40 C41 H41A 109.5 . . ?
 C40 C41 H41B 109.5 . . ?
 C40 C41 H41C 109.5 . . ?
 H41A C41 H41B 109.5 . . ?
 H41A C41 H41C 109.5 . . ?
 H41B C41 H41C 109.5 . . ?
 C40 C42 H42A 109.5 . . ?
 C40 C42 H42B 109.5 . . ?
 C40 C42 H42C 109.5 . . ?
 H42A C42 H42B 109.5 . . ?
 H42A C42 H42C 109.5 . . ?
 H42B C42 H42C 109.5 . . ?
 C39 C43 C40 113.8(3) . . ?
 C39 C43 H43A 108.8 . . ?
 C39 C43 H43B 108.8 . . ?
 C40 C43 H43A 108.8 . . ?
 C40 C43 H43B 108.8 . . ?
 H43A C43 H43B 107.7 . . ?
 C2 C44 C7 103.3(2) . . ?
 C2 C44 C45 117.9(2) . . ?
 C2 C44 C56 114.3(2) . . ?
 C45 C44 C7 109.3(2) . . ?
 C45 C44 C56 100.9(2) . . ?
 C56 C44 C7 111.3(2) . . ?
 C46 C45 C44 129.2(3) . . ?
 C46 C45 C50 119.6(3) . . ?
 C50 C45 C44 111.1(3) . . ?
 C45 C46 H46 119.6 . . ?
 C45 C46 C47 120.8(3) . . ?
 C47 C46 H46 119.6 . . ?
 C46 C47 C69 118.4(5) . . ?
 C46 C47 C69A 118.1(4) . . ?
 C48 C47 C46 119.3(3) . . ?
 C48 C47 C69 122.2(5) . . ?
 C48 C47 C69A 122.5(4) . . ?
 C47 C48 C65 120.9(5) . . ?
 C47 C48 C65A 124.0(4) . . ?
 C49 C48 C47 119.0(3) . . ?
 C49 C48 C65 119.7(5) . . ?
 C49 C48 C65A 116.8(4) . . ?
 C48 C49 H49 119.5 . . ?
 C50 C49 C48 121.0(3) . . ?
 C50 C49 H49 119.5 . . ?
 C45 C50 C51 108.2(3) . . ?
 C49 C50 C45 120.2(3) . . ?
 C49 C50 C51 131.6(3) . . ?
 C52 C51 C50 130.8(3) . . ?
 C52 C51 C56 120.4(3) . . ?
 C56 C51 C50 108.8(3) . . ?
 C51 C52 H52 119.7 . . ?
 C51 C52 C53 120.6(3) . . ?
 C53 C52 H52 119.7 . . ?
 C52 C53 C54 119.6(3) . . ?
 C52 C53 C61 115.7(3) . . ?
 C52 C53 C61A 127.5(8) . . ?
 C54 C53 C61 124.6(3) . . ?
 C54 C53 C61A 112.4(8) . . ?
 C53 C54 C57 120.9(3) . . ?
 C53 C54 C57A 131.4(7) . . ?
 C55 C54 C53 118.6(3) . . ?
 C55 C54 C57 120.5(4) . . ?
 C55 C54 C57A 110.1(7) . . ?
 C54 C55 H55 119.5 . . ?
 C56 C55 C54 121.0(3) . . ?
 C56 C55 H55 119.5 . . ?
 C51 C56 C44 110.7(3) . . ?
 C55 C56 C44 129.5(3) . . ?
 C55 C56 C51 119.8(3) . . ?
 N1 C73 H73A 109.5 . . ?
 N1 C73 H73B 109.5 . . ?
 N1 C73 H73C 109.5 . . ?
 H73A C73 H73B 109.5 . . ?
 H73A C73 H73C 109.5 . . ?
 H73B C73 H73C 109.5 . . ?
 N1 Ge1 I1 110.86(8) . . ?
 N1 Ge1 I2 111.73(9) . . ?
 N1 Ge1 C74 115.03(14) . . ?
 I2 Ge1 I1 98.220(15) . . ?
 C74 Ge1 I1 110.00(13) . . ?
 C74 Ge1 I2 109.73(12) . . ?
 Ge1 C74 H74A 109.6 . . ?
 Ge1 C74 H74B 109.3 . . ?
 Ge1 C74 H74C 109.7 . . ?
 H74A C74 H74B 109.4 . . ?
 H74A C74 H74C 109.5 . . ?
 H74B C74 H74C 109.4 . . ?
 C54 C57 C58 108.1(4) . . ?
 C54 C57 C59 111.4(4) . . ?
 C54 C57 C60 110.2(4) . . ?
 C58 C57 C59 108.8(5) . . ?
 C60 C57 C58 110.7(5) . . ?
 C60 C57 C59 107.7(5) . . ?
 C57 C58 H58A 109.5 . . ?
 C57 C58 H58B 109.5 . . ?
 C57 C58 H58C 109.5 . . ?
 H58A C58 H58B 109.5 . . ?
 H58A C58 H58C 109.5 . . ?
 H58B C58 H58C 109.5 . . ?
 C57 C59 H59A 109.5 . . ?
 C57 C59 H59B 109.5 . . ?
 C57 C59 H59C 109.5 . . ?
 H59A C59 H59B 109.5 . . ?
 H59A C59 H59C 109.5 . . ?
 H59B C59 H59C 109.5 . . ?
 C57 C60 H60A 108.9 . . ?
 C57 C60 H60B 108.9 . . ?
 H60A C60 H60B 107.7 . . ?
 C64 C60 C57 113.5(5) . . ?
 C64 C60 H60A 108.9 . . ?
 C64 C60 H60B 108.9 . . ?
 C62 C61 C53 111.6(4) . . ?
 C62 C61 C63 108.6(5) . . ?
 C63 C61 C53 108.3(6) . . ?
 C64 C61 C53 109.8(4) . . ?
 C64 C61 C62 108.8(4) . . ?
 C64 C61 C63 109.6(5) . . ?
 C61 C62 H62A 109.5 . . ?
 C61 C62 H62B 109.5 . . ?
 C61 C62 H62C 109.5 . . ?
 H62A C62 H62B 109.5 . . ?
 H62A C62 H62C 109.5 . . ?
 H62B C62 H62C 109.5 . . ?
 C61 C63 H63A 109.5 . . ?
 C61 C63 H63B 109.5 . . ?
 C61 C63 H63C 109.5 . . ?
 H63A C63 H63B 109.5 . . ?
 H63A C63 H63C 109.5 . . ?
 H63B C63 H63C 109.5 . . ?
 C60 C64 C61 113.2(4) . . ?
 C60 C64 H64A 108.9 . . ?
 C60 C64 H64B 108.9 . . ?
 C61 C64 H64A 108.9 . . ?
 C61 C64 H64B 108.9 . . ?
 H64A C64 H64B 107.8 . . ?
 C66 C65 C48 112.1(14) . . ?
 C67 C65 C48 106.7(11) . . ?
 C67 C65 C66 109.6(11) . . ?
 C67 C65 C68 109.7(10) . . ?
 C68 C65 C48 110.9(9) . . ?
 C68 C65 C66 107.8(11) . . ?
 C65 C66 H66A 109.5 . . ?
 C65 C66 H66B 109.5 . . ?
 C65 C66 H66C 109.5 . . ?
 H66A C66 H66B 109.5 . . ?
 H66A C66 H66C 109.5 . . ?
 H66B C66 H66C 109.5 . . ?
 C65 C67 H67A 109.5 . . ?
 C65 C67 H67B 109.5 . . ?
 C65 C67 H67C 109.5 . . ?
 H67A C67 H67B 109.5 . . ?
 H67A C67 H67C 109.5 . . ?
 H67B C67 H67C 109.5 . . ?
 C65 C68 H68A 108.9 . . ?
 C65 C68 H68B 108.9 . . ?
 H68A C68 H68B 107.7 . . ?
 C72 C68 C65 113.3(9) . . ?
 C72 C68 H68A 108.9 . . ?
 C72 C68 H68B 108.9 . . ?
 C70 C69 C47 109.0(15) . . ?
 C70 C69 C71 110.1(11) . . ?
 C71 C69 C47 108.3(13) . . ?
 C72 C69 C47 112.6(10) . . ?
 C72 C69 C70 108.1(10) . . ?
 C72 C69 C71 108.8(10) . . ?
 C69 C70 H70A 109.5 . . ?
 C69 C70 H70B 109.5 . . ?
 C69 C70 H70C 109.5 . . ?
 H70A C70 H70B 109.5 . . ?
 H70A C70 H70C 109.5 . . ?
 H70B C70 H70C 109.5 . . ?
 C69 C71 H71A 109.5 . . ?
 C69 C71 H71B 109.5 . . ?
 C69 C71 H71C 109.5 . . ?
 H71A C71 H71B 109.5 . . ?
 H71A C71 H71C 109.5 . . ?
 H71B C71 H71C 109.5 . . ?
 C68 C72 C69 112.5(9) . . ?
 C68 C72 H72A 109.1 . . ?
 C68 C72 H72B 109.1 . . ?
 C69 C72 H72A 109.1 . . ?
 C69 C72 H72B 109.1 . . ?
 H72A C72 H72B 107.8 . . ?
 N1 Ge1A I1A 91.6(8) . . ?
 N1 Ge1A I2A 137.4(10) . . ?
 N1 Ge1A C74A 108.7(10) . . ?
 I1A Ge1A I2A 97.5(6) . . ?
 C74A Ge1A I1A 109.2(10) . . ?
 C74A Ge1A I2A 107.3(9) . . ?
 Ge1A C74A H74D 104.8 . . ?
 Ge1A C74A H74E 102.3 . . ?
 Ge1A C74A H74F 120.7 . . ?
 H74D C74A H74E 109.5 . . ?
 H74D C74A H74F 109.5 . . ?
 H74E C74A H74F 109.5 . . ?
 C58A C57A C54 113.0(15) . . ?
 C58A C57A C59A 109.8(14) . . ?
 C59A C57A C54 109.7(19) . . ?
 C60A C57A C54 105.7(14) . . ?
 C60A C57A C58A 109.9(13) . . ?
 C60A C57A C59A 108.6(13) . . ?
 C57A C58A H58D 109.5 . . ?
 C57A C58A H58E 109.5 . . ?
 C57A C58A H58F 109.5 . . ?
 H58D C58A H58E 109.5 . . ?
 H58D C58A H58F 109.5 . . ?
 H58E C58A H58F 109.5 . . ?
 C57A C59A H59D 109.5 . . ?
 C57A C59A H59E 109.5 . . ?
 C57A C59A H59F 109.5 . . ?
 H59D C59A H59E 109.5 . . ?
 H59D C59A H59F 109.5 . . ?
 H59E C59A H59F 109.5 . . ?
 C57A C60A H60C 108.9 . . ?
 C57A C60A H60D 108.9 . . ?
 H60C C60A H60D 107.7 . . ?
 C64A C60A C57A 113.4(12) . . ?
 C64A C60A H60C 108.9 . . ?
 C64A C60A H60D 108.9 . . ?
 C53 C61A C62A 103.9(19) . . ?
 C53 C61A C63A 108(3) . . ?
 C53 C61A C64A 117.9(17) . . ?
 C62A C61A C63A 108.6(14) . . ?
 C64A C61A C62A 109.3(14) . . ?
 C64A C61A C63A 109.3(14) . . ?
 C61A C62A H62D 109.5 . . ?
 C61A C62A H62E 109.5 . . ?
 C61A C62A H62F 109.5 . . ?
 H62D C62A H62E 109.5 . . ?
 H62D C62A H62F 109.5 . . ?
 H62E C62A H62F 109.5 . . ?
 C61A C63A H63D 109.5 . . ?
 C61A C63A H63E 109.5 . . ?
 C61A C63A H63F 109.5 . . ?
 H63D C63A H63E 109.5 . . ?
 H63D C63A H63F 109.5 . . ?
 H63E C63A H63F 109.5 . . ?
 C60A C64A C61A 113.5(13) . . ?
 C60A C64A H64C 108.9 . . ?
 C60A C64A H64D 108.9 . . ?
 C61A C64A H64C 108.9 . . ?
 C61A C64A H64D 108.9 . . ?
 H64C C64A H64D 107.7 . . ?
 C48 C65A C66A 106.9(9) . . ?
 C48 C65A C68A 110.3(6) . . ?
 C67A C65A C48 112.4(7) . . ?
 C67A C65A C66A 109.8(7) . . ?
 C67A C65A C68A 108.0(7) . . ?
 C68A C65A C66A 109.4(8) . . ?
 C65A C66A H66D 109.5 . . ?
 C65A C66A H66E 109.5 . . ?
 C65A C66A H66F 109.5 . . ?
 H66D C66A H66E 109.5 . . ?
 H66D C66A H66F 109.5 . . ?
 H66E C66A H66F 109.5 . . ?
 C65A C67A H67D 109.5 . . ?
 C65A C67A H67E 109.5 . . ?
 C65A C67A H67F 109.5 . . ?
 H67D C67A H67E 109.5 . . ?
 H67D C67A H67F 109.5 . . ?
 H67E C67A H67F 109.5 . . ?
 C65A C68A H68C 108.8 . . ?
 C65A C68A H68D 108.8 . . ?
 H68C C68A H68D 107.7 . . ?
 C72A C68A C65A 113.6(6) . . ?
 C72A C68A H68C 108.8 . . ?
 C72A C68A H68D 108.8 . . ?
 C47 C69A C70A 111.9(8) . . ?
 C47 C69A C71A 108.4(7) . . ?
 C47 C69A C72A 109.8(6) . . ?
 C70A C69A C71A 109.5(7) . . ?
 C72A C69A C70A 107.8(6) . . ?
 C72A C69A C71A 109.6(7) . . ?
 C69A C70A H70D 109.5 . . ?
 C69A C70A H70E 109.5 . . ?
 C69A C70A H70F 109.5 . . ?
 H70D C70A H70E 109.5 . . ?
 H70D C70A H70F 109.5 . . ?
 H70E C70A H70F 109.5 . . ?
 C69A C71A H71D 109.5 . . ?
 C69A C71A H71E 109.5 . . ?
 C69A C71A H71F 109.5 . . ?
 H71D C71A H71E 109.5 . . ?
 H71D C71A H71F 109.5 . . ?
 H71E C71A H71F 109.5 . . ?
 C68A C72A C69A 113.0(6) . . ?
 C68A C72A H72C 109.0 . . ?
 C68A C72A H72D 109.0 . . ?
 C69A C72A H72C 109.0 . . ?
 C69A C72A H72D 109.0 . . ?
 H72C C72A H72D 107.8 . . ?
 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 . . ?
 C2_1 C1_1 C1_3 77.2(12) . . ?
 C1_3 C1_1 H1A_1 135.1 . . ?
 C1_3 C1_1 H1B_1 109.5 . . ?
 C1_3 C1_1 H1C_1 35.0 . . ?
 C1_1 C2_1 H2A_1 105.9 . . ?
 C1_1 C2_1 H2B_1 105.9 . . ?
 C1_1 C2_1 C3_1 125.9(11) . . ?
 H2A_1 C2_1 H2B_1 106.2 . . ?
 C3_1 C2_1 H2A_1 105.9 . . ?
 C3_1 C2_1 H2B_1 105.9 . . ?
 C2_1 C3_1 H3A_1 108.5 . . ?
 C2_1 C3_1 H3B_1 108.5 . . ?
 C2_1 C3_1 C4_1 114.9(9) . . ?
 H3A_1 C3_1 H3B_1 107.5 . . ?
 C4_1 C3_1 H3A_1 108.5 . . ?
 C4_1 C3_1 H3B_1 108.5 . . ?
 C3_1 C4_1 H4A_1 108.6 . . ?
 C3_1 C4_1 H4B_1 108.6 . . ?
 H4A_1 C4_1 H4B_1 107.6 . . ?
 C5_1 C4_1 C3_1 114.6(9) . . ?
 C5_1 C4_1 H4A_1 108.6 . . ?
 C5_1 C4_1 H4B_1 108.6 . . ?
 C4_1 C5_1 H5A_1 109.0 . . ?
 C4_1 C5_1 H5B_1 109.0 . . ?
 C4_1 C5_1 C6_1 112.9(8) . . ?
 H5A_1 C5_1 H5B_1 107.8 . . ?
 C6_1 C5_1 H5A_1 109.0 . . ?
 C6_1 C5_1 H5B_1 109.0 . . ?
 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_2 109.6 . . ?
 C2_2 C1_2 H1B_2 109.7 . . ?
 C2_2 C1_2 H1C_2 109.1 . . ?
 C1_2 C2_2 H2A_2 109.0 . . ?
 C1_2 C2_2 H2B_2 109.0 . . ?
 H2A_2 C2_2 H2B_2 107.8 . . ?
 C3_2 C2_2 C1_2 112.9(11) . . ?
 C3_2 C2_2 H2A_2 109.0 . . ?
 C3_2 C2_2 H2B_2 109.0 . . ?
 C2_2 C3_2 H3A_2 108.9 . . ?
 C2_2 C3_2 H3B_2 108.9 . . ?
 C2_2 C3_2 C4_2 113.5(11) . . ?
 H3A_2 C3_2 H3B_2 107.7 . . ?
 C4_2 C3_2 H3A_2 108.9 . . ?
 C4_2 C3_2 H3B_2 108.9 . . ?
 C3_2 C4_2 H4A_2 108.9 . . ?
 C3_2 C4_2 H4B_2 108.9 . . ?
 H4A_2 C4_2 H4B_2 107.7 . . ?
 C5_2 C4_2 C3_2 113.3(11) . . ?
 C5_2 C4_2 H4A_2 108.9 . . ?
 C5_2 C4_2 H4B_2 108.9 . . ?
 C4_2 C5_2 H5A_2 108.7 . . ?
 C4_2 C5_2 H5B_2 108.7 . . ?
 H5A_2 C5_2 H5B_2 107.6 . . ?
 C6_2 C5_2 C4_2 114.1(11) . . ?
 C6_2 C5_2 H5A_2 108.7 . . ?
 C6_2 C5_2 H5B_2 108.7 . . ?
 C5_2 C6_2 H6A_2 98.5 . . ?
 C5_2 C6_2 H6B_2 113.4 . . ?
 C5_2 C6_2 H6C_2 115.8 . . ?
 H6A_2 C6_2 H6B_2 109.5 . . ?
 H6A_2 C6_2 H6C_2 109.5 . . ?
 H6B_2 C6_2 H6C_2 109.5 . . ?
 C1_1 C1_3 H1A_3 67.1 . . ?
 C1_1 C1_3 H1B_3 73.6 . . ?
 C1_1 C1_3 H1C_3 71.0 . . ?
 H1A_3 C1_3 H1B_3 109.5 . . ?
 H1A_3 C1_3 H1C_3 109.4 . . ?
 H1B_3 C1_3 H1C_3 109.5 . . ?
 C2_3 C1_3 C1_1 177.8(16) . . ?
 C2_3 C1_3 H1A_3 110.8 . . ?
 C2_3 C1_3 H1B_3 108.1 . . ?
 C2_3 C1_3 H1C_3 109.5 . . ?
 C1_3 C2_3 H2A_3 109.6 . . ?
 C1_3 C2_3 H2B_3 109.6 . . ?
 H2A_3 C2_3 H2B_3 108.1 . . ?
 C3_3 C2_3 C1_3 110.2(9) . . ?
 C3_3 C2_3 H2A_3 109.6 . . ?
 C3_3 C2_3 H2B_3 109.6 . . ?
 C2_3 C3_3 H3A_3 108.4 . . ?
 C2_3 C3_3 H3B_3 108.4 . . ?
 H3A_3 C3_3 H3B_3 107.5 . . ?
 C4_3 C3_3 C2_3 115.4(10) . . ?
 C4_3 C3_3 H3A_3 108.4 . . ?
 C4_3 C3_3 H3B_3 108.4 . . ?
 C3_3 C4_3 H4A_3 108.8 . . ?
 C3_3 C4_3 H4B_3 108.8 . . ?
 C3_3 C4_3 C5_3 113.8(9) . . ?
 H4A_3 C4_3 H4B_3 107.7 . . ?
 C5_3 C4_3 H4A_3 108.8 . . ?
 C5_3 C4_3 H4B_3 108.8 . . ?
 C4_3 C5_3 H5A_3 108.5 . . ?
 C4_3 C5_3 H5B_3 108.5 . . ?
 C4_3 C5_3 C6_3 115.1(9) . . ?
 H5A_3 C5_3 H5B_3 107.5 . . ?
 C6_3 C5_3 H5A_3 108.5 . . ?
 C6_3 C5_3 H5B_3 108.5 . . ?
 C5_3 C6_3 H6A_3 109.8 . . ?
 C5_3 C6_3 H6B_3 107.2 . . ?
 C5_3 C6_3 H6C_3 111.4 . . ?
 H6A_3 C6_3 H6B_3 109.5 . . ?
 H6A_3 C6_3 H6C_3 109.5 . . ?
 H6B_3 C6_3 H6C_3 109.5 . . ?

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
 N1 C1 C2 C3 177.8(3) . . . . ?
 N1 C1 C2 C44 -3.0(4) . . . . ?
 N1 C1 C6 C5 -178.9(3) . . . . ?
 N1 C1 C6 C15 2.5(5) . . . . ?
 C1 N1 Ge1 I1 -137.6(2) . . . . ?
 C1 N1 Ge1 I2 113.9(2) . . . . ?
 C1 N1 Ge1 C74 -12.0(3) . . . . ?
 C1 N1 Ge1A I1A -143.7(6) . . . . ?
 C1 N1 Ge1A I2A 113.4(11) . . . . ?
 C1 N1 Ge1A C74A -32.8(12) . . . . ?
 C1 C2 C3 C4 0.9(4) . . . . ?
 C1 C2 C3 C8 -178.2(3) . . . . ?
 C1 C2 C44 C7 168.5(3) . . . . ?
 C1 C2 C44 C45 47.9(4) . . . . ?
 C1 C2 C44 C56 -70.4(4) . . . . ?
 C1 C6 C15 C11 -164.3(3) . . . . ?
 C1 C6 C15 C16 77.8(4) . . . . ?
 C1 C6 C15 C27 -48.7(4) . . . . ?
 C2 C1 C6 C5 -2.4(4) . . . . ?
 C2 C1 C6 C15 178.9(3) . . . . ?
 C2 C3 C4 C5 -2.1(4) . . . . ?
 C2 C3 C8 C7 8.5(3) . . . . ?
 C2 C3 C8 C9 126.4(3) . . . . ?
 C2 C3 C8 C10 -112.4(3) . . . . ?
 C2 C44 C45 C46 54.4(4) . . . . ?
 C2 C44 C45 C50 -130.3(3) . . . . ?
 C2 C44 C56 C51 133.0(3) . . . . ?
 C2 C44 C56 C55 -49.9(4) . . . . ?
 C3 C2 C44 C7 -12.3(3) . . . . ?
 C3 C2 C44 C45 -132.9(3) . . . . ?
 C3 C2 C44 C56 108.8(3) . . . . ?
 C3 C4 C5 C6 1.0(4) . . . . ?
 C3 C4 C5 C12 -176.3(3) . . . . ?
 C4 C3 C8 C7 -170.6(3) . . . . ?
 C4 C3 C8 C9 -52.6(4) . . . . ?
 C4 C3 C8 C10 68.5(4) . . . . ?
 C4 C5 C6 C1 1.3(4) . . . . ?
 C4 C5 C6 C15 -179.8(3) . . . . ?
 C4 C5 C12 C11 163.4(3) . . . . ?
 C4 C5 C12 C13 46.2(4) . . . . ?
 C4 C5 C12 C14 -75.1(4) . . . . ?
 C5 C6 C15 C11 16.9(3) . . . . ?
 C5 C6 C15 C16 -101.0(3) . . . . ?
 C5 C6 C15 C27 132.6(3) . . . . ?
 C6 C1 C2 C3 1.4(4) . . . . ?
 C6 C1 C2 C44 -179.5(3) . . . . ?
 C6 C5 C12 C11 -14.0(3) . . . . ?
 C6 C5 C12 C13 -131.2(3) . . . . ?
 C6 C5 C12 C14 107.4(3) . . . . ?
 C6 C15 C16 C17 30.8(4) . . . . ?
 C6 C15 C16 C21 -152.9(3) . . . . ?
 C6 C15 C27 C22 149.3(3) . . . . ?
 C6 C15 C27 C26 -41.3(4) . . . . ?
 C7 C44 C45 C46 -63.1(4) . . . . ?
 C7 C44 C45 C50 112.2(3) . . . . ?
 C7 C44 C56 C51 -110.5(3) . . . . ?
 C7 C44 C56 C55 66.7(4) . . . . ?
 C8 C3 C4 C5 176.9(3) . . . . ?
 C8 C7 C44 C2 17.6(3) . . . . ?
 C8 C7 C44 C45 143.9(2) . . . . ?
 C8 C7 C44 C56 -105.5(3) . . . . ?
 C11 C15 C16 C17 -82.8(4) . . . . ?
 C11 C15 C16 C21 93.5(3) . . . . ?
 C11 C15 C27 C22 -96.7(3) . . . . ?
 C11 C15 C27 C26 72.7(4) . . . . ?
 C12 C5 C6 C1 178.8(2) . . . . ?
 C12 C5 C6 C15 -2.2(3) . . . . ?
 C12 C11 C15 C6 -26.0(3) . . . . ?
 C12 C11 C15 C16 97.6(3) . . . . ?
 C12 C11 C15 C27 -155.1(2) . . . . ?
 C15 C11 C12 C5 24.5(3) . . . . ?
 C15 C11 C12 C13 143.7(2) . . . . ?
 C15 C11 C12 C14 -95.2(3) . . . . ?
 C15 C16 C17 C18 172.7(3) . . . . ?
 C15 C16 C21 C20 -172.8(3) . . . . ?
 C15 C16 C21 C22 10.5(3) . . . . ?
 C16 C15 C27 C22 16.3(3) . . . . ?
 C16 C15 C27 C26 -174.3(3) . . . . ?
 C16 C17 C18 C19 -0.1(5) . . . . ?
 C16 C17 C18 C28 -176.5(3) . . . . ?
 C16 C21 C22 C23 -179.8(3) . . . . ?
 C16 C21 C22 C27 0.4(3) . . . . ?
 C17 C16 C21 C20 4.0(5) . . . . ?
 C17 C16 C21 C22 -172.7(3) . . . . ?
 C17 C18 C19 C20 2.8(5) . . . . ?
 C17 C18 C19 C32 -178.8(3) . . . . ?
 C17 C18 C28 C29 -48.4(5) . . . . ?
 C17 C18 C28 C30 72.6(4) . . . . ?
 C17 C18 C28 C31 -166.6(3) . . . . ?
 C18 C19 C20 C21 -2.1(5) . . . . ?
 C18 C19 C32 C33 -106.9(4) . . . . ?
 C18 C19 C32 C34 135.0(4) . . . . ?
 C18 C19 C32 C35 14.1(6) . . . . ?
 C18 C28 C31 C35 -45.2(5) . . . . ?
 C19 C18 C28 C29 135.2(4) . . . . ?
 C19 C18 C28 C30 -103.8(4) . . . . ?
 C19 C18 C28 C31 17.0(5) . . . . ?
 C19 C20 C21 C16 -1.3(5) . . . . ?
 C19 C20 C21 C22 174.6(3) . . . . ?
 C19 C32 C35 C31 -42.1(5) . . . . ?
 C20 C19 C32 C33 71.6(5) . . . . ?
 C20 C19 C32 C34 -46.5(5) . . . . ?
 C20 C19 C32 C35 -167.5(4) . . . . ?
 C20 C21 C22 C23 3.9(6) . . . . ?
 C20 C21 C22 C27 -175.9(3) . . . . ?
 C21 C16 C17 C18 -3.3(5) . . . . ?
 C21 C22 C23 C24 -177.4(3) . . . . ?
 C21 C22 C27 C15 -11.1(3) . . . . ?
 C21 C22 C27 C26 178.1(3) . . . . ?
 C22 C23 C24 C25 0.1(5) . . . . ?
 C22 C23 C24 C40 -175.0(3) . . . . ?
 C23 C22 C27 C15 169.1(3) . . . . ?
 C23 C22 C27 C26 -1.7(4) . . . . ?
 C23 C24 C25 C26 -3.3(4) . . . . ?
 C23 C24 C25 C36 173.8(3) . . . . ?
 C23 C24 C40 C41 74.6(4) . . . . ?
 C23 C24 C40 C42 -43.2(5) . . . . ?
 C23 C24 C40 C43 -166.6(3) . . . . ?
 C24 C25 C26 C27 4.1(4) . . . . ?
 C24 C25 C36 C37 145.4(3) . . . . ?
 C24 C25 C36 C38 -94.7(4) . . . . ?
 C24 C25 C36 C39 25.0(4) . . . . ?
 C24 C40 C43 C39 -41.7(5) . . . . ?
 C25 C24 C40 C41 -100.3(4) . . . . ?
 C25 C24 C40 C42 141.8(3) . . . . ?
 C25 C24 C40 C43 18.5(5) . . . . ?
 C25 C26 C27 C15 -170.1(3) . . . . ?
 C25 C26 C27 C22 -1.6(4) . . . . ?
 C25 C36 C39 C43 -48.6(4) . . . . ?
 C26 C25 C36 C37 -37.5(4) . . . . ?
 C26 C25 C36 C38 82.4(4) . . . . ?
 C26 C25 C36 C39 -157.8(3) . . . . ?
 C27 C15 C16 C17 167.6(3) . . . . ?
 C27 C15 C16 C21 -16.1(3) . . . . ?
 C27 C22 C23 C24 2.4(5) . . . . ?
 C28 C18 C19 C20 179.1(3) . . . . ?
 C28 C18 C19 C32 -2.5(5) . . . . ?
 C28 C31 C35 C32 60.8(5) . . . . ?
 C29 C28 C31 C35 -167.0(4) . . . . ?
 C30 C28 C31 C35 74.2(4) . . . . ?
 C32 C19 C20 C21 179.4(3) . . . . ?
 C33 C32 C35 C31 77.8(5) . . . . ?
 C34 C32 C35 C31 -164.0(4) . . . . ?
 C36 C25 C26 C27 -173.1(3) . . . . ?
 C36 C39 C43 C40 59.8(5) . . . . ?
 C37 C36 C39 C43 -172.3(3) . . . . ?
 C38 C36 C39 C43 70.0(4) . . . . ?
 C40 C24 C25 C26 171.5(3) . . . . ?
 C40 C24 C25 C36 -11.4(5) . . . . ?
 C41 C40 C43 C39 75.6(4) . . . . ?
 C42 C40 C43 C39 -166.1(4) . . . . ?
 C44 C2 C3 C4 -178.4(3) . . . . ?
 C44 C2 C3 C8 2.5(3) . . . . ?
 C44 C7 C8 C3 -16.0(3) . . . . ?
 C44 C7 C8 C9 -134.6(3) . . . . ?
 C44 C7 C8 C10 103.8(3) . . . . ?
 C44 C45 C46 C47 177.6(3) . . . . ?
 C44 C45 C50 C49 -177.4(3) . . . . ?
 C44 C45 C50 C51 3.2(3) . . . . ?
 C45 C44 C56 C51 5.4(3) . . . . ?
 C45 C44 C56 C55 -177.4(3) . . . . ?
 C45 C46 C47 C48 -1.9(5) . . . . ?
 C45 C46 C47 C69 174.8(7) . . . . ?
 C45 C46 C47 C69A 176.5(4) . . . . ?
 C45 C50 C51 C52 179.0(3) . . . . ?
 C45 C50 C51 C56 0.4(3) . . . . ?
 C46 C45 C50 C49 -1.6(5) . . . . ?
 C46 C45 C50 C51 179.0(3) . . . . ?
 C46 C47 C48 C49 -0.1(5) . . . . ?
 C46 C47 C48 C65 -173.0(7) . . . . ?
 C46 C47 C48 C65A 175.4(5) . . . . ?
 C46 C47 C69 C70 66.3(10) . . . . ?
 C46 C47 C69 C71 -53.4(11) . . . . ?
 C46 C47 C69 C72 -173.8(8) . . . . ?
 C46 C47 C69A C70A 45.6(7) . . . . ?
 C46 C47 C69A C71A -75.1(7) . . . . ?
 C46 C47 C69A C72A 165.2(5) . . . . ?
 C47 C48 C49 C50 1.2(5) . . . . ?
 C47 C48 C65 C66 132.1(9) . . . . ?
 C47 C48 C65 C67 -107.9(9) . . . . ?
 C47 C48 C65 C68 11.5(12) . . . . ?
 C47 C48 C65A C66A 110.8(7) . . . . ?
 C47 C48 C65A C67A -128.6(6) . . . . ?
 C47 C48 C65A C68A -8.0(9) . . . . ?
 C47 C69 C72 C68 -38.3(15) . . . . ?
 C47 C69A C72A C68A 47.8(9) . . . . ?
 C48 C47 C69 C70 -117.2(9) . . . . ?
 C48 C47 C69 C71 123.1(9) . . . . ?
 C48 C47 C69 C72 2.8(13) . . . . ?
 C48 C47 C69A C70A -136.1(5) . . . . ?
 C48 C47 C69A C71A 103.1(6) . . . . ?
 C48 C47 C69A C72A -16.5(8) . . . . ?
 C48 C49 C50 C45 -0.3(5) . . . . ?
 C48 C49 C50 C51 178.9(3) . . . . ?
 C48 C65 C68 C72 -47.7(12) . . . . ?
 C48 C65A C68A C72A 39.3(9) . . . . ?
 C49 C48 C65 C66 -40.7(12) . . . . ?
 C49 C48 C65 C67 79.3(10) . . . . ?
 C49 C48 C65 C68 -161.3(7) . . . . ?
 C49 C48 C65A C66A -73.6(8) . . . . ?
 C49 C48 C65A C67A 47.0(8) . . . . ?
 C49 C48 C65A C68A 167.6(5) . . . . ?
 C49 C50 C51 C52 -0.2(6) . . . . ?
 C49 C50 C51 C56 -178.8(3) . . . . ?
 C50 C45 C46 C47 2.7(5) . . . . ?
 C50 C51 C52 C53 -178.9(3) . . . . ?
 C50 C51 C56 C44 -3.9(3) . . . . ?
 C50 C51 C56 C55 178.6(3) . . . . ?
 C51 C52 C53 C54 0.3(5) . . . . ?
 C51 C52 C53 C61 178.7(3) . . . . ?
 C51 C52 C53 C61A 170.8(12) . . . . ?
 C52 C51 C56 C44 177.3(3) . . . . ?
 C52 C51 C56 C55 -0.1(5) . . . . ?
 C52 C53 C54 C55 0.3(5) . . . . ?
 C52 C53 C54 C57 -177.6(4) . . . . ?
 C52 C53 C54 C57A -179.5(11) . . . . ?
 C52 C53 C61 C62 47.2(5) . . . . ?
 C52 C53 C61 C63 -72.3(6) . . . . ?
 C52 C53 C61 C64 168.0(4) . . . . ?
 C52 C53 C61A C62A 76.8(17) . . . . ?
 C52 C53 C61A C63A -38.2(19) . . . . ?
 C52 C53 C61A C64A -162.1(11) . . . . ?
 C53 C54 C55 C56 -0.8(5) . . . . ?
 C53 C54 C57 C58 100.6(5) . . . . ?
 C53 C54 C57 C59 -140.0(5) . . . . ?
 C53 C54 C57 C60 -20.5(6) . . . . ?
 C53 C54 C57A C58A 127.6(12) . . . . ?
 C53 C54 C57A C59A -109.6(15) . . . . ?
 C53 C54 C57A C60A 7.4(17) . . . . ?
 C53 C61 C64 C60 41.6(6) . . . . ?
 C53 C61A C64A C60A -43(2) . . . . ?
 C54 C53 C61 C62 -134.6(4) . . . . ?
 C54 C53 C61 C63 105.9(6) . . . . ?
 C54 C53 C61 C64 -13.8(6) . . . . ?
 C54 C53 C61A C62A -112.1(14) . . . . ?
 C54 C53 C61A C63A 132.9(14) . . . . ?
 C54 C53 C61A C64A 9.0(18) . . . . ?
 C54 C55 C56 C44 -176.2(3) . . . . ?
 C54 C55 C56 C51 0.8(5) . . . . ?
 C54 C57 C60 C64 49.3(6) . . . . ?
 C54 C57A C60A C64A -41(2) . . . . ?
 C55 C54 C57 C58 -77.2(5) . . . . ?
 C55 C54 C57 C59 42.2(6) . . . . ?
 C55 C54 C57 C60 161.6(4) . . . . ?
 C55 C54 C57A C58A -52.2(15) . . . . ?
 C55 C54 C57A C59A 70.6(14) . . . . ?
 C55 C54 C57A C60A -172.4(11) . . . . ?
 C56 C44 C45 C46 179.6(3) . . . . ?
 C56 C44 C45 C50 -5.2(3) . . . . ?
 C56 C51 C52 C53 -0.4(5) . . . . ?
 C73 N1 C1 C2 -89.7(3) . . . . ?
 C73 N1 C1 C6 86.6(3) . . . . ?
 C73 N1 Ge1 I1 48.5(2) . . . . ?
 C73 N1 Ge1 I2 -60.0(2) . . . . ?
 C73 N1 Ge1 C74 174.0(2) . . . . ?
 C73 N1 Ge1A I1A 46.0(10) . . . . ?
 C73 N1 Ge1A I2A -56.9(16) . . . . ?
 C73 N1 Ge1A C74A 156.9(12) . . . . ?
 Ge1 N1 C1 C2 96.4(3) . . . . ?
 Ge1 N1 C1 C6 -87.3(3) . . . . ?
 C57 C54 C55 C56 177.1(4) . . . . ?
 C57 C60 C64 C61 -62.7(7) . . . . ?
 C58 C57 C60 C64 -70.3(6) . . . . ?
 C59 C57 C60 C64 170.9(5) . . . . ?
 C61 C53 C54 C55 -177.9(4) . . . . ?
 C61 C53 C54 C57 4.2(6) . . . . ?
 C62 C61 C64 C60 164.0(5) . . . . ?
 C63 C61 C64 C60 -77.3(7) . . . . ?
 C65 C48 C49 C50 174.2(7) . . . . ?
 C65 C68 C72 C69 63.1(15) . . . . ?
 C66 C65 C68 C72 -170.8(13) . . . . ?
 C67 C65 C68 C72 69.9(15) . . . . ?
 C69 C47 C48 C49 -176.6(7) . . . . ?
 C69 C47 C48 C65 10.5(10) . . . . ?
 C70 C69 C72 C68 82.2(16) . . . . ?
 C71 C69 C72 C68 -158.3(14) . . . . ?
 Ge1A N1 C1 C2 99.1(7) . . . . ?
 Ge1A N1 C1 C6 -84.6(7) . . . . ?
 C57A C54 C55 C56 179.0(9) . . . . ?
 C57A C60A C64A C61A 61(3) . . . . ?
 C58A C57A C60A C64A -163(2) . . . . ?
 C59A C57A C60A C64A 76(2) . . . . ?
 C61A C53 C54 C55 -171.6(10) . . . . ?
 C61A C53 C54 C57A 8.6(15) . . . . ?
 C62A C61A C64A C60A 75(3) . . . . ?
 C63A C61A C64A C60A -167(3) . . . . ?
 C65A C48 C49 C50 -174.6(5) . . . . ?
 C65A C68A C72A C69A -62.3(10) . . . . ?
 C66A C65A C68A C72A -78.0(9) . . . . ?
 C67A C65A C68A C72A 162.5(7) . . . . ?
 C69A C47 C48 C49 -178.4(5) . . . . ?
 C69A C47 C48 C65A -2.9(8) . . . . ?
 C70A C69A C72A C68A 169.9(8) . . . . ?
 C71A C69A C72A C68A -71.1(10) . . . . ?
 C1_1 C2_1 C3_1 C4_1 163.2(16) . . . . ?
 C2_1 C3_1 C4_1 C5_1 -102.4(18) . . . . ?
 C3_1 C4_1 C5_1 C6_1 152.4(12) . . . . ?
 C1_2 C2_2 C3_2 C4_2 -111(4) . . . . ?
 C2_2 C3_2 C4_2 C5_2 -125(3) . . . . ?
 C3_2 C4_2 C5_2 C6_2 -113(4) . . . . ?
 C1_3 C1_1 C2_1 C3_1 -133(2) . . . . ?
 C1_3 C2_3 C3_3 C4_3 -165.0(18) . . . . ?
 C2_3 C3_3 C4_3 C5_3 178.2(15) . . . . ?
 C3_3 C4_3 C5_3 C6_3 176.3(13) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
