# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_84
_database_code_depnum_ccdc_archive 'CCDC 2083200'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-07-15 downloaded from the CCDC.
;
_audit_creation_date             2020-06-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H21 Cl3 Co Ge O3 P'
_chemical_formula_sum            'C12 H21 Cl3 Co Ge O3 P'
_chemical_formula_weight         482.13
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.1543(11)
_cell_length_b                   18.346(2)
_cell_length_c                   11.0901(12)
_cell_angle_alpha                90
_cell_angle_beta                 91.392(2)
_cell_angle_gamma                90
_cell_volume                     2065.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5535
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.800
_cell_measurement_theta_min      2.293
_shelx_estimated_absorpt_T_max   0.869
_shelx_estimated_absorpt_T_min   0.598
_exptl_absorpt_coefficient_mu    2.727
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1083 before and 0.0553 after correction. The Ratio of minimum to maximum transmission is 0.7935. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.053
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            34206
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.510
_diffrn_reflns_theta_min         2.146
_diffrn_ambient_temperature      150
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4387
_reflns_number_total             6300
_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 V8.40A (Bruker, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.155
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         6300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0432P)²+0.8143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.1000
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C104(H10H,H10I), C105(H10J,H10K), C106(H10L,
 H10M), C107(H10N,H10O)
2.b Idealised Me refined as rotating group:
 C00K(H00A,H00B,H00C), C103(H10E,H10F,H10G), C108(H10P,H10Q,H10R)
;
_atom_sites_solution_hydrogens   geom
_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
Ge1 Ge 0.32479(2) 0.66755(2) 0.37844(2) 0.02507(8) Uani 1 1 d . . . . .
Co1 Co 0.54921(3) 0.66397(2) 0.38309(3) 0.02144(9) Uani 1 1 d . . . . .
Cl11 Cl 0.22848(7) 0.62706(5) 0.21454(7) 0.04387(19) Uani 1 1 d . . . . .
Cl12 Cl 0.23443(7) 0.77421(4) 0.39666(7) 0.04240(18) Uani 1 1 d . . . . .
Cl13 Cl 0.22569(6) 0.60672(4) 0.51819(6) 0.03773(17) Uani 1 1 d . . . . .
P1 P 0.76732(6) 0.66468(3) 0.38431(5) 0.02035(13) Uani 1 1 d . . . . .
O12 O 0.5283(2) 0.50548(11) 0.35987(19) 0.0434(5) Uani 1 1 d . . . . .
O14 O 0.5413(2) 0.75367(14) 0.1656(2) 0.0541(6) Uani 1 1 d . . . . .
O16 O 0.5368(2) 0.72685(14) 0.62464(19) 0.0531(6) Uani 1 1 d . . . . .
C00K C 0.8838(4) 0.88405(17) 0.3831(3) 0.0502(8) Uani 1 1 d . . . . .
H00A H 0.8522 0.9260 0.3359 0.075 Uiso 1 1 calc GR . . . .
H00B H 0.9751 0.8733 0.3625 0.075 Uiso 1 1 calc GR . . . .
H00C H 0.8796 0.8953 0.4693 0.075 Uiso 1 1 calc GR . . . .
C11 C 0.5391(2) 0.56703(16) 0.3697(2) 0.0294(6) Uani 1 1 d . . . . .
C13 C 0.5449(2) 0.71892(17) 0.2505(3) 0.0343(6) Uani 1 1 d . . . . .
C15 C 0.5439(2) 0.70278(16) 0.5304(3) 0.0323(6) Uani 1 1 d . . . . .
C101 C 0.8379(3) 0.64258(17) 0.2387(3) 0.0358(6) Uani 1 1 d . . . . .
H10A H 0.8172 0.6829 0.1820 0.043 Uiso 1 1 calc R . . . .
H10B H 0.9349 0.6405 0.2493 0.043 Uiso 1 1 calc R . . . .
C102 C 0.7919(3) 0.57212(18) 0.1815(3) 0.0422(7) Uani 1 1 d . . . . .
H10C H 0.6977 0.5766 0.1575 0.051 Uiso 1 1 calc R . . . .
H10D H 0.8001 0.5323 0.2415 0.051 Uiso 1 1 calc R . . . .
C103 C 0.8705(3) 0.55255(19) 0.0717(3) 0.0507(8) Uani 1 1 d . . . . .
H10E H 0.8641 0.5922 0.0127 0.076 Uiso 1 1 calc GR . . . .
H10F H 0.8353 0.5077 0.0356 0.076 Uiso 1 1 calc GR . . . .
H10G H 0.9630 0.5451 0.0959 0.076 Uiso 1 1 calc GR . . . .
C104 C 0.8421(3) 0.75162(15) 0.4250(3) 0.0346(6) Uani 1 1 d . . . . .
H10H H 0.8252 0.7608 0.5113 0.041 Uiso 1 1 calc R . . . .
H10I H 0.9386 0.7468 0.4171 0.041 Uiso 1 1 calc R . . . .
C105 C 0.7979(3) 0.81821(16) 0.3544(3) 0.0429(7) Uani 1 1 d . . . . .
H10J H 0.7055 0.8296 0.3736 0.051 Uiso 1 1 calc R . . . .
H10K H 0.8013 0.8075 0.2670 0.051 Uiso 1 1 calc R . . . .
C106 C 0.8471(3) 0.60034(16) 0.4875(2) 0.0326(6) Uani 1 1 d . . . . .
H10L H 0.8304 0.5505 0.4564 0.039 Uiso 1 1 calc R . . . .
H10M H 0.9433 0.6087 0.4857 0.039 Uiso 1 1 calc R . . . .
C107 C 0.8060(3) 0.60284(17) 0.6171(2) 0.0383(7) Uani 1 1 d . . . . .
H10N H 0.7167 0.5817 0.6230 0.046 Uiso 1 1 calc R . . . .
H10O H 0.8015 0.6543 0.6435 0.046 Uiso 1 1 calc R . . . .
C108 C 0.9002(3) 0.56152(18) 0.7010(3) 0.0445(7) Uani 1 1 d . . . . .
H10P H 0.9065 0.5107 0.6742 0.067 Uiso 1 1 calc GR . . . .
H10Q H 0.8674 0.5630 0.7833 0.067 Uiso 1 1 calc GR . . . .
H10R H 0.9875 0.5842 0.6994 0.067 Uiso 1 1 calc GR . . . .


_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 Co1 2.2791(4) . ?
Ge1 Cl11 2.1739(8) . ?
Ge1 Cl12 2.1726(8) . ?
Ge1 Cl13 2.1763(7) . ?
Co1 P1 2.2146(7) . ?
Co1 C11 1.788(3) . ?
Co1 C13 1.783(3) . ?
Co1 C15 1.784(3) . ?
P1 C101 1.828(3) . ?
P1 C104 1.818(3) . ?
P1 C106 1.820(3) . ?
O12 C11 1.139(3) . ?
O14 C13 1.137(3) . ?
O16 C15 1.139(3) . ?
C00K C105 1.519(4) . ?
C101 C102 1.509(4) . ?
C102 C103 1.515(4) . ?
C104 C105 1.513(4) . ?
C106 C107 1.507(4) . ?
C107 C108 1.521(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl11 Ge1 Co1 116.00(2) . . ?
Cl11 Ge1 Cl13 102.35(3) . . ?
Cl12 Ge1 Co1 116.62(2) . . ?
Cl12 Ge1 Cl11 101.72(3) . . ?
Cl12 Ge1 Cl13 101.07(3) . . ?
Cl13 Ge1 Co1 116.64(2) . . ?
P1 Co1 Ge1 177.80(2) . . ?
C11 Co1 Ge1 88.36(8) . . ?
C11 Co1 P1 93.54(8) . . ?
C13 Co1 Ge1 87.75(8) . . ?
C13 Co1 P1 90.34(8) . . ?
C13 Co1 C11 119.58(13) . . ?
C13 Co1 C15 121.95(14) . . ?
C15 Co1 Ge1 87.54(8) . . ?
C15 Co1 P1 92.54(8) . . ?
C15 Co1 C11 118.06(13) . . ?
C101 P1 Co1 113.99(9) . . ?
C104 P1 Co1 114.70(9) . . ?
C104 P1 C101 104.11(14) . . ?
C104 P1 C106 103.66(13) . . ?
C106 P1 Co1 115.44(9) . . ?
C106 P1 C101 103.51(13) . . ?
O12 C11 Co1 177.7(2) . . ?
O14 C13 Co1 179.4(3) . . ?
O16 C15 Co1 178.0(2) . . ?
C102 C101 P1 116.0(2) . . ?
C101 C102 C103 112.2(3) . . ?
C105 C104 P1 117.6(2) . . ?
C104 C105 C00K 111.9(3) . . ?
C107 C106 P1 116.8(2) . . ?
C106 C107 C108 112.6(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_88
_database_code_depnum_ccdc_archive 'CCDC 2083201'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2021-06-17 deposited with the CCDC.	2021-07-15 downloaded from the CCDC.
;
_audit_creation_date             2021-06-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H84 Co4 Ge1 O12 P4'
_chemical_formula_sum            'C48 H84 Co4 Ge O12 P4'
_chemical_formula_weight         1285.34
_chemical_absolute_configuration ?
_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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      cubic
_space_group_IT_number           198
_space_group_name_H-M_alt        'P 21 3'
_space_group_name_Hall           'P 2ac 2ab 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'

_cell_length_a                   28.9936(6)
_cell_length_b                   28.9936(6)
_cell_length_c                   28.9936(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     24372.9(15)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.957
_cell_measurement_theta_min      2.221
_shelx_estimated_absorpt_T_max   0.595
_shelx_estimated_absorpt_T_min   0.590
_exptl_absorpt_coefficient_mu    1.710
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6460
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0757 before and 0.0623 after correction. The Ratio of minimum to maximum transmission is 0.8663. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       tetrahedron
_exptl_crystal_F_000             10688
_exptl_crystal_size_max          0.345
_exptl_crystal_size_mid          0.345
_exptl_crystal_size_min          0.339
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0791
_diffrn_reflns_av_unetI/netI     0.0733
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            96962
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.278
_diffrn_reflns_theta_min         0.702
_diffrn_ambient_temperature      150.01
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.892
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                15220
_reflns_number_total             20218
_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 V8.40A (Bruker, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 
;
 Flack x determined using 5701 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.073(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     931
_refine_ls_number_reflns         20218
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0831
_refine_ls_R_factor_gt           0.0529
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0575P)²+24.7100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1214
_refine_ls_wR_factor_ref         0.1370
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.8993(12)
 0.1007(12)
2. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
C211 \\sim C231: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C212 \\sim C232: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C213 \\sim C233: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C214 \\sim C234: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C215 \\sim C235: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C216 \\sim C236: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C218 \\sim C238: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C217) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C217, C218, C219
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C231)=Sof(H23A)=Sof(H23B)=Sof(C232)=Sof(H23C)=Sof(H23D)=Sof(C233)=
 Sof(H23E)=Sof(H23F)=Sof(H23G)=Sof(C234)=Sof(H23H)=Sof(H23I)=Sof(C235)=
 Sof(H23J)=Sof(H23K)=Sof(C236)=Sof(H23L)=Sof(H23M)=Sof(H23N)=Sof(C237)=
 Sof(H23O)=Sof(H23P)=Sof(C238)=Sof(H23Q)=Sof(H23R)=Sof(C239)=Sof(H23S)=
 Sof(H23T)=Sof(H23U)=1-FVAR(1)
 Sof(C211)=Sof(H21A)=Sof(H21B)=Sof(C212)=Sof(H21C)=Sof(H21D)=Sof(C213)=
 Sof(H21E)=Sof(H21F)=Sof(H21G)=Sof(C214)=Sof(H21H)=Sof(H21I)=Sof(C215)=
 Sof(H21J)=Sof(H21K)=Sof(C216)=Sof(H21L)=Sof(H21M)=Sof(H21N)=Sof(C217)=
 Sof(H21O)=Sof(H21P)=Sof(C218)=Sof(H21Q)=Sof(H21R)=Sof(C219)=Sof(H21S)=
 Sof(H21T)=Sof(H21U)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C111(H11A,H11B), C112(H11C,H11D), C114(H11H,H11I), C115(H11J,H11K), C117(H11O,
 H11P), C118(H11Q,H11R), C121(H12A,H12B), C122(H12C,H12D), C211(H21A,H21B),
 C212(H21C,H21D), C214(H21H,H21I), C215(H21J,H21K), C217(H21O,H21P), C218(H21Q,
 H21R), C221(H22A,H22B), C222(H22C,H22D), C231(H23A,H23B), C232(H23C,H23D),
 C234(H23H,H23I), C235(H23J,H23K), C237(H23O,H23P), C238(H23Q,H23R), C311(H31A,
 H31B), C312(H31C,H31D), C314(H31H,H31I), C315(H31J,H31K), C317(H31O,H31P),
 C318(H31Q,H31R), C321(H32A,H32B), C322(H32C,H32D), C411(H41A,H41B), C412(H41C,
 H41D), C414(H41H,H41I), C415(H41J,H41K), C417(H41O,H41P), C418(H41Q,H41R),
 C421(H42A,H42B), C422(H42C,H42D)
6.b Idealised Me refined as rotating group:
 C113(H11E,H11F,H11G), C116(H11L,H11M,H11N), C119(H11S,H11T,H11U), C123(H12E,
 H12F,H12G), C213(H21E,H21F,H21G), C216(H21L,H21M,H21N), C219(H21S,H21T,H21U),
 C223(H22E,H22F,H22G), C233(H23E,H23F,H23G), C236(H23L,H23M,H23N), C239(H23S,
 H23T,H23U), C313(H31E,H31F,H31G), C316(H31L,H31M,H31N), C319(H31S,H31T,H31U),
 C323(H32E,H32F,H32G), C413(H41E,H41F,H41G), C416(H41L,H41M,H41N), C419(H41S,
 H41T,H41U), C423(H42E,H42F,H42G)
;
_atom_sites_solution_hydrogens   geom
_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
Ge1 Ge 0.77410(3) 1.22590(3) 0.72590(3) 0.0204(3) Uani 1 3 d S T P . .
Co11 Co 0.71956(4) 1.27207(4) 0.67591(4) 0.0237(2) Uani 1 1 d . . . . .
Co12 Co 0.82425(3) 1.17575(3) 0.67575(3) 0.0213(3) Uani 1 3 d S T P . .
P11 P 0.67166(8) 1.30841(8) 0.62840(8) 0.0317(5) Uani 1 1 d . . . . .
P12 P 0.86839(7) 1.13161(7) 0.63161(7) 0.0256(7) Uani 1 3 d S T P . .
O12 O 0.6574(3) 1.2872(3) 0.7540(3) 0.066(2) Uani 1 1 d . . . . .
O14 O 0.7093(3) 1.1894(3) 0.6199(3) 0.060(2) Uani 1 1 d . . . . .
O16 O 0.7910(3) 1.3410(2) 0.6579(3) 0.059(2) Uani 1 1 d . . . . .
O18 O 0.7515(2) 1.1060(2) 0.6726(3) 0.0518(18) Uani 1 1 d . . . . .
C11 C 0.6838(3) 1.2812(3) 0.7238(3) 0.045(2) Uani 1 1 d . . . . .
C13 C 0.7146(3) 1.2208(3) 0.6434(3) 0.042(2) Uani 1 1 d . . . . .
C15 C 0.7639(4) 1.3119(3) 0.6654(3) 0.046(2) Uani 1 1 d . . . . .
C17 C 0.7793(3) 1.1351(3) 0.6746(3) 0.039(2) Uani 1 1 d . . . . .
C111 C 0.6118(3) 1.3084(3) 0.6464(3) 0.044(2) Uani 1 1 d . . . . .
H11A H 0.6091 1.3276 0.6745 0.053 Uiso 1 1 calc R . . . .
H11B H 0.5932 1.3233 0.6220 0.053 Uiso 1 1 calc R . . . .
C112 C 0.5920(4) 1.2632(4) 0.6561(5) 0.068(3) Uani 1 1 d . . . . .
H11C H 0.6154 1.2439 0.6717 0.081 Uiso 1 1 calc R . . . .
H11D H 0.5840 1.2480 0.6265 0.081 Uiso 1 1 calc R . . . .
C113 C 0.5484(4) 1.2653(5) 0.6866(6) 0.091(5) Uani 1 1 d . . . . .
H11E H 0.5224 1.2770 0.6684 0.136 Uiso 1 1 calc GR . . . .
H11F H 0.5540 1.2859 0.7128 0.136 Uiso 1 1 calc GR . . . .
H11G H 0.5411 1.2343 0.6981 0.136 Uiso 1 1 calc GR . . . .
C114 C 0.6689(4) 1.2823(5) 0.5694(3) 0.062(3) Uani 1 1 d . . . . .
H11H H 0.6555 1.2510 0.5722 0.075 Uiso 1 1 calc R . . . .
H11I H 0.6476 1.3009 0.5504 0.075 Uiso 1 1 calc R . . . .
C115 C 0.7143(4) 1.2784(4) 0.5442(4) 0.063(3) Uani 1 1 d . . . . .
H11J H 0.7390 1.2704 0.5663 0.076 Uiso 1 1 calc R . . . .
H11K H 0.7220 1.3085 0.5299 0.076 Uiso 1 1 calc R . . . .
C116 C 0.7112(4) 1.2415(4) 0.5071(4) 0.064(3) Uani 1 1 d . . . . .
H11L H 0.7401 1.2406 0.4896 0.096 Uiso 1 1 calc GR . . . .
H11M H 0.6857 1.2487 0.4861 0.096 Uiso 1 1 calc GR . . . .
H11N H 0.7058 1.2114 0.5215 0.096 Uiso 1 1 calc GR . . . .
C117 C 0.6845(4) 1.3678(3) 0.6146(4) 0.051(3) Uani 1 1 d . . . . .
H11O H 0.7158 1.3690 0.6011 0.061 Uiso 1 1 calc R . . . .
H11P H 0.6626 1.3781 0.5906 0.061 Uiso 1 1 calc R . . . .
C118 C 0.6825(4) 1.4004(4) 0.6529(4) 0.062(3) Uani 1 1 d . . . . .
H11Q H 0.6974 1.3861 0.6801 0.075 Uiso 1 1 calc R . . . .
H11R H 0.6498 1.4060 0.6607 0.075 Uiso 1 1 calc R . . . .
C119 C 0.7058(4) 1.4466(3) 0.6432(4) 0.052(3) Uani 1 1 d . . . . .
H11S H 0.6929 1.4601 0.6150 0.077 Uiso 1 1 calc GR . . . .
H11T H 0.7390 1.4419 0.6393 0.077 Uiso 1 1 calc GR . . . .
H11U H 0.7004 1.4676 0.6692 0.077 Uiso 1 1 calc GR . . . .
C121 C 0.8579(3) 1.1358(4) 0.5694(3) 0.047(2) Uani 1 1 d . . . . .
H12A H 0.8685 1.1665 0.5588 0.056 Uiso 1 1 calc R . . . .
H12B H 0.8772 1.1124 0.5537 0.056 Uiso 1 1 calc R . . . .
C122 C 0.8104(4) 1.1295(4) 0.5546(3) 0.055(3) Uani 1 1 d . . . . .
H12C H 0.7914 1.1547 0.5676 0.066 Uiso 1 1 calc R . . . .
H12D H 0.7987 1.1001 0.5672 0.066 Uiso 1 1 calc R . . . .
C123 C 0.8046(4) 1.1291(5) 0.5022(3) 0.065(3) Uani 1 1 d . . . . .
H12E H 0.8211 1.1026 0.4893 0.098 Uiso 1 1 calc GR . . . .
H12F H 0.8172 1.1576 0.4893 0.098 Uiso 1 1 calc GR . . . .
H12G H 0.7718 1.1268 0.4946 0.098 Uiso 1 1 calc GR . . . .
Ge2 Ge 0.72334(3) 1.22334(3) 0.27666(3) 0.0378(4) Uani 1 3 d S T P . .
Co21 Co 0.77896(4) 1.27211(4) 0.32401(5) 0.0395(3) Uani 1 1 d . . . . .
Co22 Co 0.67304(4) 1.17304(4) 0.32696(4) 0.0365(5) Uani 1 3 d S T P . .
P21 P 0.83114(10) 1.31493(10) 0.36021(12) 0.0562(8) Uani 1 1 d . . . . .
P22 P 0.62846(7) 1.12846(7) 0.37154(7) 0.0308(8) Uani 1 3 d S T P . .
O22 O 0.7088(3) 1.2876(3) 0.3932(3) 0.075(2) Uani 1 1 d . . . . .
O24 O 0.8378(4) 1.1916(3) 0.3332(3) 0.088(3) Uani 1 1 d . . . . .
O26 O 0.7878(5) 1.3368(4) 0.2469(3) 0.115(4) Uani 1 1 d . . . . .
O28 O 0.7475(3) 1.1681(3) 0.3936(3) 0.074(3) Uani 1 1 d . . . . .
C21 C 0.7351(3) 1.2812(4) 0.3656(4) 0.049(2) Uani 1 1 d . . . . .
C23 C 0.8136(4) 1.2225(4) 0.3287(4) 0.052(3) Uani 1 1 d . . . . .
C25 C 0.7836(4) 1.3094(4) 0.2763(4) 0.066(3) Uani 1 1 d . . . . .
C27 C 0.7188(4) 1.1711(4) 0.3666(4) 0.051(3) Uani 1 1 d . . . . .
C211 C 0.8591(6) 1.2869(6) 0.4134(6) 0.052(4) Uani 0.682(13) 1 d . U . A 1
H21A H 0.8786 1.2608 0.4033 0.062 Uiso 0.682(13) 1 calc R . . A 1
H21B H 0.8793 1.3098 0.4287 0.062 Uiso 0.682(13) 1 calc R . . A 1
C212 C 0.8236(6) 1.2694(8) 0.4481(6) 0.053(4) Uani 0.682(13) 1 d . U . A 1
H21C H 0.7977 1.2915 0.4507 0.063 Uiso 0.682(13) 1 calc R . . A 1
H21D H 0.8112 1.2393 0.4380 0.063 Uiso 0.682(13) 1 calc R . . A 1
C213 C 0.8459(16) 1.2649(10) 0.4906(13) 0.085(9) Uani 0.682(13) 1 d . U . A 1
H21E H 0.8776 1.2763 0.4880 0.127 Uiso 0.682(13) 1 calc GR . . A 1
H21F H 0.8464 1.2323 0.4996 0.127 Uiso 0.682(13) 1 calc GR . . A 1
H21G H 0.8294 1.2828 0.5140 0.127 Uiso 0.682(13) 1 calc GR . . A 1
C214 C 0.8819(6) 1.3297(7) 0.3278(6) 0.057(5) Uani 0.682(13) 1 d . U . A 1
H21H H 0.8729 1.3502 0.3020 0.069 Uiso 0.682(13) 1 calc R . . A 1
H21I H 0.9031 1.3472 0.3480 0.069 Uiso 0.682(13) 1 calc R . . A 1
C215 C 0.9073(6) 1.2890(8) 0.3085(7) 0.070(5) Uani 0.682(13) 1 d . U . A 1
H21J H 0.8848 1.2663 0.2963 0.085 Uiso 0.682(13) 1 calc R . . A 1
H21K H 0.9253 1.2739 0.3332 0.085 Uiso 0.682(13) 1 calc R . . A 1
C216 C 0.9409(11) 1.3047(8) 0.2683(10) 0.068(7) Uani 0.682(13) 1 d . U . A 1
H21L H 0.9228 1.3179 0.2430 0.102 Uiso 0.682(13) 1 calc GR . . A 1
H21M H 0.9583 1.2780 0.2571 0.102 Uiso 0.682(13) 1 calc GR . . A 1
H21N H 0.9624 1.3280 0.2801 0.102 Uiso 0.682(13) 1 calc GR . . A 1
C217 C 0.8124(6) 1.3711(6) 0.3873(7) 0.065(5) Uani 0.682(13) 1 d . U . A 1
H21O H 0.7978 1.3638 0.4172 0.079 Uiso 0.682(13) 1 calc R . . A 1
H21P H 0.8406 1.3892 0.3941 0.079 Uiso 0.682(13) 1 calc R . . A 1
C218 C 0.7812(17) 1.4008(17) 0.3620(10) 0.073(7) Uani 0.682(13) 1 d . U . A 1
H21Q H 0.7656 1.4218 0.3839 0.088 Uiso 0.682(13) 1 calc R . . A 1
H21R H 0.7573 1.3816 0.3471 0.088 Uiso 0.682(13) 1 calc R . . A 1
C219 C 0.8058(9) 1.4291(8) 0.3255(9) 0.092(7) Uani 0.682(13) 1 d . U . A 1
H21S H 0.8182 1.4086 0.3017 0.138 Uiso 0.682(13) 1 calc GR . . A 1
H21T H 0.8312 1.4463 0.3398 0.138 Uiso 0.682(13) 1 calc GR . . A 1
H21U H 0.7840 1.4508 0.3115 0.138 Uiso 0.682(13) 1 calc GR . . A 1
C221 C 0.5883(4) 1.0899(4) 0.3417(4) 0.055(3) Uani 1 1 d . . . . .
H22A H 0.6065 1.0693 0.3214 0.066 Uiso 1 1 calc R . . . .
H22B H 0.5732 1.0702 0.3652 0.066 Uiso 1 1 calc R . . . .
C222 C 0.5520(4) 1.1113(4) 0.3137(4) 0.059(3) Uani 1 1 d . . . . .
H22C H 0.5668 1.1279 0.2877 0.070 Uiso 1 1 calc R . . . .
H22D H 0.5358 1.1345 0.3328 0.070 Uiso 1 1 calc R . . . .
C223 C 0.5170(4) 1.0785(5) 0.2945(4) 0.069(3) Uani 1 1 d . . . . .
H22E H 0.5322 1.0572 0.2730 0.104 Uiso 1 1 calc GR . . . .
H22F H 0.4931 1.0958 0.2781 0.104 Uiso 1 1 calc GR . . . .
H22G H 0.5030 1.0610 0.3197 0.104 Uiso 1 1 calc GR . . . .
C231 C 0.8364(15) 1.3132(14) 0.4151(12) 0.062(7) Uani 0.318(13) 1 d . U . A 2
H23A H 0.8625 1.3334 0.4238 0.074 Uiso 0.318(13) 1 calc R . . A 2
H23B H 0.8082 1.3268 0.4288 0.074 Uiso 0.318(13) 1 calc R . . A 2
C232 C 0.8440(14) 1.2673(17) 0.4370(15) 0.055(7) Uani 0.318(13) 1 d . U . A 2
H23C H 0.8731 1.2566 0.4226 0.065 Uiso 0.318(13) 1 calc R . . A 2
H23D H 0.8195 1.2480 0.4232 0.065 Uiso 0.318(13) 1 calc R . . A 2
C233 C 0.848(3) 1.2477(19) 0.490(3) 0.063(12) Uani 0.318(13) 1 d . U . A 2
H23E H 0.8670 1.2198 0.4902 0.095 Uiso 0.318(13) 1 calc GR . . A 2
H23F H 0.8169 1.2402 0.5014 0.095 Uiso 0.318(13) 1 calc GR . . A 2
H23G H 0.8619 1.2712 0.5097 0.095 Uiso 0.318(13) 1 calc GR . . A 2
C234 C 0.8884(14) 1.3044(18) 0.3413(15) 0.064(8) Uani 0.318(13) 1 d . U . A 2
H23H H 0.9084 1.3292 0.3535 0.076 Uiso 0.318(13) 1 calc R . . A 2
H23I H 0.8990 1.2750 0.3550 0.076 Uiso 0.318(13) 1 calc R . . A 2
C235 C 0.8959(15) 1.3014(17) 0.2818(15) 0.072(8) Uani 0.318(13) 1 d . U . A 2
H23J H 0.8712 1.2821 0.2682 0.087 Uiso 0.318(13) 1 calc R . . A 2
H23K H 0.8934 1.3327 0.2684 0.087 Uiso 0.318(13) 1 calc R . . A 2
C236 C 0.941(3) 1.282(2) 0.270(3) 0.086(14) Uani 0.318(13) 1 d . U . A 2
H23L H 0.9371 1.2573 0.2472 0.129 Uiso 0.318(13) 1 calc GR . . A 2
H23M H 0.9551 1.2688 0.2982 0.129 Uiso 0.318(13) 1 calc GR . . A 2
H23N H 0.9610 1.3060 0.2578 0.129 Uiso 0.318(13) 1 calc GR . . A 2
C237 C 0.8247(15) 1.3793(13) 0.3364(19) 0.089(16) Uani 0.318(13) 1 d . . . A 2
H23O H 0.8493 1.3987 0.3500 0.107 Uiso 0.318(13) 1 calc R . . A 2
H23P H 0.8292 1.3791 0.3025 0.107 Uiso 0.318(13) 1 calc R . . A 2
C238 C 0.780(4) 1.400(4) 0.347(3) 0.076(10) Uani 0.318(13) 1 d . U . A 2
H23Q H 0.7552 1.3809 0.3330 0.092 Uiso 0.318(13) 1 calc R . . A 2
H23R H 0.7752 1.4000 0.3807 0.092 Uiso 0.318(13) 1 calc R . . A 2
C239 C 0.777(2) 1.4467(16) 0.330(2) 0.10(2) Uani 0.318(13) 1 d . . . A 2
H23S H 0.8015 1.4522 0.3073 0.157 Uiso 0.318(13) 1 calc GR . . A 2
H23T H 0.7793 1.4684 0.3552 0.157 Uiso 0.318(13) 1 calc GR . . A 2
H23U H 0.7467 1.4509 0.3143 0.157 Uiso 0.318(13) 1 calc GR . . A 2
Ge3 Ge 0.97376(2) 1.52624(2) 0.47376(2) 0.0193(3) Uani 1 3 d S T P . .
Co31 Co 0.92403(3) 1.47648(3) 0.52566(3) 0.0219(2) Uani 1 1 d . . . . .
Co32 Co 0.92338(3) 1.57662(3) 0.42338(3) 0.0224(4) Uani 1 3 d S T P . .
P31 P 0.88177(7) 1.43264(7) 0.57168(7) 0.0260(4) Uani 1 1 d . . . . .
P32 P 0.87924(7) 1.62076(7) 0.37924(7) 0.0228(7) Uani 1 3 d S T P . .
O32 O 0.8593(2) 1.5534(2) 0.5345(2) 0.0460(17) Uani 1 1 d . . . . .
O34 O 0.9140(2) 1.4096(2) 0.4514(2) 0.0442(16) Uani 1 1 d . . . . .
O36 O 1.0008(2) 1.4685(2) 0.5899(2) 0.0365(14) Uani 1 1 d . . . . .
O38 O 0.9217(2) 1.6458(2) 0.4967(2) 0.0467(17) Uani 1 1 d . . . . .
C31 C 0.8855(3) 1.5246(3) 0.5301(3) 0.0322(18) Uani 1 1 d . . . . .
C33 C 0.9188(3) 1.4372(3) 0.4788(3) 0.0279(17) Uani 1 1 d . . . . .
C35 C 0.9716(3) 1.4729(3) 0.5629(3) 0.0259(16) Uani 1 1 d . . . . .
C37 C 0.9232(3) 1.6177(3) 0.4693(3) 0.0345(19) Uani 1 1 d . . . . .
C311 C 0.8890(3) 1.4440(3) 0.6334(3) 0.042(2) Uani 1 1 d . . . . .
H31A H 0.8662 1.4254 0.6507 0.050 Uiso 1 1 calc R . . . .
H31B H 0.9202 1.4336 0.6428 0.050 Uiso 1 1 calc R . . . .
C312 C 0.8832(4) 1.4955(4) 0.6472(3) 0.053(3) Uani 1 1 d . . . . .
H31C H 0.8971 1.5152 0.6230 0.064 Uiso 1 1 calc R . . . .
H31D H 0.8499 1.5029 0.6490 0.064 Uiso 1 1 calc R . . . .
C313 C 0.9051(5) 1.5058(5) 0.6919(4) 0.082(4) Uani 1 1 d . . . . .
H31E H 0.9026 1.5389 0.6982 0.123 Uiso 1 1 calc GR . . . .
H31F H 0.9377 1.4969 0.6908 0.123 Uiso 1 1 calc GR . . . .
H31G H 0.8895 1.4885 0.7163 0.123 Uiso 1 1 calc GR . . . .
C314 C 0.8940(3) 1.3709(3) 0.5682(4) 0.049(3) Uani 1 1 d . . . . .
H31H H 0.8735 1.3547 0.5902 0.059 Uiso 1 1 calc R . . . .
H31I H 0.8858 1.3601 0.5369 0.059 Uiso 1 1 calc R . . . .
C315 C 0.9428(3) 1.3566(3) 0.5781(4) 0.049(3) Uani 1 1 d . . . . .
H31J H 0.9634 1.3716 0.5553 0.059 Uiso 1 1 calc R . . . .
H31K H 0.9515 1.3682 0.6090 0.059 Uiso 1 1 calc R . . . .
C316 C 0.9509(4) 1.3069(4) 0.5768(5) 0.074(4) Uani 1 1 d . . . . .
H31L H 0.9820 1.3003 0.5883 0.111 Uiso 1 1 calc GR . . . .
H31M H 0.9481 1.2959 0.5449 0.111 Uiso 1 1 calc GR . . . .
H31N H 0.9281 1.2913 0.5961 0.111 Uiso 1 1 calc GR . . . .
C317 C 0.8198(3) 1.4351(4) 0.5624(3) 0.047(2) Uani 1 1 d . . . . .
H31O H 0.8049 1.4121 0.5828 0.057 Uiso 1 1 calc R . . . .
H31P H 0.8087 1.4660 0.5719 0.057 Uiso 1 1 calc R . . . .
C318 C 0.8044(3) 1.4264(4) 0.5139(4) 0.054(3) Uani 1 1 d . . . . .
H31Q H 0.8187 1.4499 0.4937 0.065 Uiso 1 1 calc R . . . .
H31R H 0.8162 1.3959 0.5041 0.065 Uiso 1 1 calc R . . . .
C319 C 0.7536(3) 1.4273(6) 0.5061(4) 0.078(4) Uani 1 1 d . . . . .
H31S H 0.7421 1.4588 0.5103 0.117 Uiso 1 1 calc GR . . . .
H31T H 0.7385 1.4068 0.5283 0.117 Uiso 1 1 calc GR . . . .
H31U H 0.7469 1.4168 0.4747 0.117 Uiso 1 1 calc GR . . . .
C321 C 0.8199(3) 1.6295(3) 0.3987(3) 0.037(2) Uani 1 1 d . . . . .
H32A H 0.8048 1.6514 0.3773 0.045 Uiso 1 1 calc R . . . .
H32B H 0.8033 1.5997 0.3959 0.045 Uiso 1 1 calc R . . . .
C322 C 0.8134(3) 1.6470(4) 0.4469(3) 0.047(2) Uani 1 1 d . . . . .
H32C H 0.8341 1.6737 0.4519 0.056 Uiso 1 1 calc R . . . .
H32D H 0.8225 1.6225 0.4689 0.056 Uiso 1 1 calc R . . . .
C323 C 0.7640(4) 1.6617(5) 0.4572(4) 0.064(3) Uani 1 1 d . . . . .
H32E H 0.7537 1.6839 0.4339 0.095 Uiso 1 1 calc GR . . . .
H32F H 0.7626 1.6760 0.4878 0.095 Uiso 1 1 calc GR . . . .
H32G H 0.7438 1.6346 0.4565 0.095 Uiso 1 1 calc GR . . . .
Ge4 Ge 0.52049(2) 1.52049(2) 0.52049(2) 0.0193(3) Uani 1 3 d S T P . .
Co41 Co 0.56836(3) 1.48486(3) 0.45729(3) 0.0219(2) Uani 1 1 d . . . . .
Co42 Co 0.57043(3) 1.57043(3) 0.57043(3) 0.0242(4) Uani 1 3 d S T P . .
P41 P 0.60790(7) 1.45295(7) 0.40073(7) 0.0265(4) Uani 1 1 d . . . . .
P42 P 0.61445(7) 1.61445(7) 0.61445(7) 0.0292(8) Uani 1 3 d S T P . .
O42 O 0.5598(2) 1.5693(2) 0.4026(2) 0.0396(14) Uani 1 1 d . . . . .
O44 O 0.50091(19) 1.4111(2) 0.4498(2) 0.0325(13) Uani 1 1 d . . . . .
O46 O 0.64489(19) 1.4745(2) 0.5216(2) 0.0419(15) Uani 1 1 d . . . . .
O48 O 0.6234(2) 1.5971(2) 0.4893(2) 0.0375(14) Uani 1 1 d . . . . .
C41 C 0.5628(3) 1.5373(3) 0.4263(3) 0.0278(17) Uani 1 1 d . . . . .
C43 C 0.5259(2) 1.4416(3) 0.4538(2) 0.0240(16) Uani 1 1 d . . . . .
C45 C 0.6141(3) 1.4787(3) 0.4978(3) 0.0297(18) Uani 1 1 d . . . . .
C47 C 0.6010(3) 1.5860(3) 0.5199(3) 0.0277(17) Uani 1 1 d . . . . .
C411 C 0.5870(3) 1.4678(3) 0.3424(3) 0.039(2) Uani 1 1 d . . . . .
H41A H 0.5930 1.5009 0.3367 0.046 Uiso 1 1 calc R . . . .
H41B H 0.6049 1.4499 0.3194 0.046 Uiso 1 1 calc R . . . .
C412 C 0.5364(3) 1.4585(4) 0.3351(3) 0.048(2) Uani 1 1 d . . . . .
H41C H 0.5187 1.4732 0.3603 0.057 Uiso 1 1 calc R . . . .
H41D H 0.5310 1.4248 0.3370 0.057 Uiso 1 1 calc R . . . .
C413 C 0.5183(4) 1.4758(5) 0.2895(4) 0.070(3) Uani 1 1 d . . . . .
H41E H 0.5204 1.5095 0.2887 0.104 Uiso 1 1 calc GR . . . .
H41F H 0.4860 1.4664 0.2859 0.104 Uiso 1 1 calc GR . . . .
H41G H 0.5367 1.4627 0.2644 0.104 Uiso 1 1 calc GR . . . .
C414 C 0.6690(3) 1.4674(3) 0.3987(3) 0.041(2) Uani 1 1 d . . . . .
H41H H 0.6848 1.4515 0.4244 0.049 Uiso 1 1 calc R . . . .
H41I H 0.6821 1.4555 0.3695 0.049 Uiso 1 1 calc R . . . .
C415 C 0.6789(3) 1.5186(4) 0.4020(4) 0.055(3) Uani 1 1 d . . . . .
H41J H 0.6652 1.5306 0.4308 0.066 Uiso 1 1 calc R . . . .
H41K H 0.6637 1.5344 0.3758 0.066 Uiso 1 1 calc R . . . .
C416 C 0.7303(4) 1.5304(5) 0.4014(7) 0.118(7) Uani 1 1 d . . . . .
H41L H 0.7445 1.5202 0.4304 0.177 Uiso 1 1 calc GR . . . .
H41M H 0.7341 1.5638 0.3981 0.177 Uiso 1 1 calc GR . . . .
H41N H 0.7452 1.5146 0.3755 0.177 Uiso 1 1 calc GR . . . .
C417 C 0.6087(3) 1.3899(3) 0.3999(3) 0.0349(19) Uani 1 1 d . . . . .
H41O H 0.5772 1.3788 0.3926 0.042 Uiso 1 1 calc R . . . .
H41P H 0.6293 1.3797 0.3746 0.042 Uiso 1 1 calc R . . . .
C418 C 0.6244(4) 1.3669(3) 0.4445(3) 0.046(2) Uani 1 1 d . . . . .
H41Q H 0.6584 1.3696 0.4471 0.056 Uiso 1 1 calc R . . . .
H41R H 0.6106 1.3834 0.4710 0.056 Uiso 1 1 calc R . . . .
C419 C 0.6113(4) 1.3173(4) 0.4468(4) 0.064(3) Uani 1 1 d . . . . .
H41S H 0.6219 1.3016 0.4188 0.097 Uiso 1 1 calc GR . . . .
H41T H 0.5777 1.3147 0.4492 0.097 Uiso 1 1 calc GR . . . .
H41U H 0.6257 1.3031 0.4738 0.097 Uiso 1 1 calc GR . . . .
C421 C 0.6175(3) 1.5969(3) 0.6756(3) 0.046(2) Uani 1 1 d . . . . .
H42A H 0.6362 1.5683 0.6777 0.055 Uiso 1 1 calc R . . . .
H42B H 0.6340 1.6212 0.6930 0.055 Uiso 1 1 calc R . . . .
C422 C 0.5720(4) 1.5884(4) 0.6982(3) 0.053(3) Uani 1 1 d . . . . .
H42C H 0.5552 1.6181 0.7004 0.064 Uiso 1 1 calc R . . . .
H42D H 0.5536 1.5677 0.6782 0.064 Uiso 1 1 calc R . . . .
C423 C 0.5746(5) 1.5676(5) 0.7453(4) 0.082(4) Uani 1 1 d . . . . .
H42E H 0.5935 1.5873 0.7653 0.124 Uiso 1 1 calc GR . . . .
H42F H 0.5885 1.5369 0.7433 0.124 Uiso 1 1 calc GR . . . .
H42G H 0.5434 1.5651 0.7582 0.124 Uiso 1 1 calc GR . . . .


_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 Co11 2.5285(11) . ?
Ge1 Co11 2.5286(11) 10_756 ?
Ge1 Co11 2.5286(11) 7_674 ?
Ge1 Co12 2.518(2) . ?
Co11 P11 2.222(2) . ?
Co11 C11 1.753(10) . ?
Co11 C13 1.766(10) . ?
Co11 C15 1.755(11) . ?
Co12 P12 2.217(4) . ?
Co12 C17 1.757(10) 7_674 ?
Co12 C17 1.757(10) 10_756 ?
Co12 C17 1.757(10) . ?
P11 C111 1.811(9) . ?
P11 C114 1.871(11) . ?
P11 C117 1.806(10) . ?
P12 C121 1.832(10) 7_674 ?
P12 C121 1.832(10) . ?
P12 C121 1.832(10) 10_756 ?
O12 C11 1.176(12) . ?
O14 C13 1.149(11) . ?
O16 C15 1.174(12) . ?
O18 C17 1.169(11) . ?
C111 C112 1.460(15) . ?
C112 C113 1.544(17) . ?
C114 C115 1.508(15) . ?
C115 C116 1.521(15) . ?
C117 C118 1.459(15) . ?
C118 C119 1.528(15) . ?
C121 C122 1.455(14) . ?
C122 C123 1.526(14) . ?
Ge2 Co21 2.5466(14) . ?
Ge2 Co21 2.5467(14) 8_656 ?
Ge2 Co21 2.5467(14) 11_466 ?
Ge2 Co22 2.526(3) . ?
Co21 P21 2.221(3) . ?
Co21 C21 1.772(11) . ?
Co21 C23 1.761(11) . ?
Co21 C25 1.760(12) . ?
Co22 P22 2.239(4) . ?
Co22 C27 1.755(11) 11_466 ?
Co22 C27 1.755(11) . ?
Co22 C27 1.755(11) 8_656 ?
P21 C211 1.923(15) . ?
P21 C214 1.799(16) . ?
P21 C217 1.888(18) . ?
P21 C231 1.60(4) . ?
P21 C234 1.77(4) . ?
P21 C237 2.00(4) . ?
P22 C221 1.833(11) 11_466 ?
P22 C221 1.833(11) . ?
P22 C221 1.833(11) 8_656 ?
O22 C21 1.122(12) . ?
O24 C23 1.144(12) . ?
O26 C25 1.172(14) . ?
O28 C27 1.149(12) . ?
C211 C212 1.52(2) . ?
C212 C213 1.40(4) . ?
C214 C215 1.50(3) . ?
C215 C216 1.58(3) . ?
C217 C218 1.45(4) . ?
C218 C219 1.52(5) . ?
C221 C222 1.466(15) . ?
C222 C223 1.499(14) . ?
C231 C232 1.49(6) . ?
C232 C233 1.64(8) . ?
C234 C235 1.74(6) . ?
C235 C236 1.47(8) . ?
C237 C238 1.46(11) . ?
C238 C239 1.45(11) . ?
Ge3 Co31 2.5346(10) 12_774 ?
Ge3 Co31 2.5346(10) . ?
Ge3 Co31 2.5346(10) 6_577 ?
Ge3 Co32 2.530(2) . ?
Co31 P31 2.213(2) . ?
Co31 C31 1.792(9) . ?
Co31 C33 1.780(8) . ?
Co31 C35 1.754(8) . ?
Co32 P32 2.217(4) . ?
Co32 C37 1.786(9) . ?
Co32 C37 1.786(9) 12_774 ?
Co32 C37 1.786(9) 6_577 ?
P31 C311 1.831(9) . ?
P31 C314 1.828(10) . ?
P31 C317 1.817(9) . ?
P32 C321 1.829(8) 6_577 ?
P32 C321 1.829(8) . ?
P32 C321 1.829(8) 12_774 ?
O32 C31 1.135(10) . ?
O34 C33 1.137(10) . ?
O36 C35 1.159(9) . ?
O38 C37 1.139(10) . ?
C311 C312 1.554(14) . ?
C312 C313 1.473(15) . ?
C314 C315 1.504(14) . ?
C315 C316 1.458(14) . ?
C317 C318 1.497(14) . ?
C318 C319 1.488(13) . ?
C321 C322 1.500(12) . ?
C322 C323 1.525(13) . ?
Ge4 Co41 2.5202(11) 5_564 ?
Ge4 Co41 2.5202(11) 9_465 ?
Ge4 Co41 2.5203(11) . ?
Ge4 Co42 2.508(2) . ?
Co41 P41 2.204(2) . ?
Co41 C41 1.772(8) . ?
Co41 C43 1.762(8) . ?
Co41 C45 1.779(9) . ?
Co42 P42 2.211(4) . ?
Co42 C47 1.771(8) . ?
Co42 C47 1.771(8) 9_465 ?
Co42 C47 1.771(8) 5_564 ?
P41 C411 1.848(9) . ?
P41 C414 1.820(9) . ?
P41 C417 1.829(9) . ?
P42 C421 1.846(9) 5_564 ?
P42 C421 1.846(9) . ?
P42 C421 1.846(9) 9_465 ?
O42 C41 1.157(9) . ?
O44 C43 1.149(9) . ?
O46 C45 1.136(10) . ?
O48 C47 1.145(9) . ?
C411 C412 1.507(13) . ?
C412 C413 1.508(13) . ?
C414 C415 1.514(13) . ?
C415 C416 1.527(15) . ?
C417 C418 1.525(13) . ?
C418 C419 1.489(14) . ?
C421 C422 1.496(14) . ?
C422 C423 1.494(15) . ?

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
Co11 Ge1 Co11 109.32(3) . 7_674 ?
Co11 Ge1 Co11 109.32(3) 7_674 10_756 ?
Co11 Ge1 Co11 109.32(3) . 10_756 ?
Co12 Ge1 Co11 109.63(3) . 10_756 ?
Co12 Ge1 Co11 109.62(3) . . ?
Co12 Ge1 Co11 109.63(3) . 7_674 ?
P11 Co11 Ge1 175.84(8) . . ?
C11 Co11 Ge1 89.7(3) . . ?
C11 Co11 P11 92.9(3) . . ?
C11 Co11 C13 120.1(5) . . ?
C11 Co11 C15 118.2(5) . . ?
C13 Co11 Ge1 85.0(3) . . ?
C13 Co11 P11 90.9(3) . . ?
C15 Co11 Ge1 89.4(3) . . ?
C15 Co11 P11 92.2(3) . . ?
C15 Co11 C13 121.4(5) . . ?
P12 Co12 Ge1 180.00(12) . . ?
C17 Co12 Ge1 88.3(3) 7_674 . ?
C17 Co12 Ge1 88.3(3) 10_756 . ?
C17 Co12 Ge1 88.2(3) . . ?
C17 Co12 P12 91.7(3) 7_674 . ?
C17 Co12 P12 91.7(3) 10_756 . ?
C17 Co12 P12 91.8(3) . . ?
C17 Co12 C17 119.91(3) 10_756 7_674 ?
C17 Co12 C17 119.90(3) 10_756 . ?
C17 Co12 C17 119.91(3) 7_674 . ?
C111 P11 Co11 114.8(3) . . ?
C111 P11 C114 102.9(5) . . ?
C114 P11 Co11 113.6(4) . . ?
C117 P11 Co11 117.4(4) . . ?
C117 P11 C111 105.2(5) . . ?
C117 P11 C114 101.1(6) . . ?
C121 P12 Co12 115.8(3) 10_756 . ?
C121 P12 Co12 115.8(3) 7_674 . ?
C121 P12 Co12 115.8(3) . . ?
C121 P12 C121 102.5(4) . 10_756 ?
C121 P12 C121 102.5(4) 7_674 10_756 ?
C121 P12 C121 102.5(4) . 7_674 ?
O12 C11 Co11 175.7(9) . . ?
O14 C13 Co11 174.8(9) . . ?
O16 C15 Co11 174.8(9) . . ?
O18 C17 Co12 175.4(8) . . ?
C112 C111 P11 115.7(8) . . ?
C111 C112 C113 113.4(11) . . ?
C115 C114 P11 115.9(8) . . ?
C114 C115 C116 110.2(10) . . ?
C118 C117 P11 116.2(8) . . ?
C117 C118 C119 114.4(10) . . ?
C122 C121 P12 116.1(7) . . ?
C121 C122 C123 113.6(9) . . ?
Co21 Ge2 Co21 106.80(5) . 8_656 ?
Co21 Ge2 Co21 106.80(5) 11_466 8_656 ?
Co21 Ge2 Co21 106.80(5) . 11_466 ?
Co22 Ge2 Co21 112.03(4) . 8_656 ?
Co22 Ge2 Co21 112.03(4) . 11_466 ?
Co22 Ge2 Co21 112.03(4) . . ?
P21 Co21 Ge2 175.30(11) . . ?
C21 Co21 Ge2 89.7(3) . . ?
C21 Co21 P21 94.8(4) . . ?
C23 Co21 Ge2 87.1(3) . . ?
C23 Co21 P21 91.8(3) . . ?
C23 Co21 C21 118.6(5) . . ?
C25 Co21 Ge2 88.0(4) . . ?
C25 Co21 P21 88.7(4) . . ?
C25 Co21 C21 119.9(6) . . ?
C25 Co21 C23 121.2(6) . . ?
P22 Co22 Ge2 180.00(7) . . ?
C27 Co22 Ge2 87.7(3) 11_466 . ?
C27 Co22 Ge2 87.7(3) 8_656 . ?
C27 Co22 Ge2 87.7(3) . . ?
C27 Co22 P22 92.3(3) 8_656 . ?
C27 Co22 P22 92.3(3) 11_466 . ?
C27 Co22 P22 92.3(3) . . ?
C27 Co22 C27 119.84(5) 8_656 11_466 ?
C27 Co22 C27 119.84(5) . 8_656 ?
C27 Co22 C27 119.85(4) . 11_466 ?
C211 P21 Co21 115.5(6) . . ?
C214 P21 Co21 116.4(6) . . ?
C214 P21 C211 100.1(8) . . ?
C214 P21 C217 104.3(9) . . ?
C217 P21 Co21 118.9(6) . . ?
C217 P21 C211 98.7(8) . . ?
C231 P21 Co21 121.2(14) . . ?
C231 P21 C234 102(2) . . ?
C231 P21 C237 112(2) . . ?
C234 P21 Co21 113.3(15) . . ?
C234 P21 C237 98(2) . . ?
C237 P21 Co21 107.2(16) . . ?
C221 P22 Co22 116.6(4) 11_466 . ?
C221 P22 Co22 116.6(4) . . ?
C221 P22 Co22 116.6(4) 8_656 . ?
C221 P22 C221 101.5(4) 11_466 8_656 ?
C221 P22 C221 101.5(4) . 8_656 ?
C221 P22 C221 101.5(4) . 11_466 ?
O22 C21 Co21 176.9(10) . . ?
O24 C23 Co21 176.2(10) . . ?
O26 C25 Co21 174.7(12) . . ?
O28 C27 Co22 176.6(9) . . ?
C212 C211 P21 112.7(12) . . ?
C213 C212 C211 108(2) . . ?
C215 C214 P21 114.1(14) . . ?
C214 C215 C216 110.5(19) . . ?
C218 C217 P21 119(2) . . ?
C217 C218 C219 112(3) . . ?
C222 C221 P22 117.2(8) . . ?
C221 C222 C223 114.9(10) . . ?
C232 C231 P21 118(3) . . ?
C231 C232 C233 136(4) . . ?
C235 C234 P21 116(3) . . ?
C236 C235 C234 111(5) . . ?
C238 C237 P21 113(5) . . ?
C239 C238 C237 112(8) . . ?
Co31 Ge3 Co31 108.89(4) 6_577 12_774 ?
Co31 Ge3 Co31 108.89(4) . 12_774 ?
Co31 Ge3 Co31 108.88(4) . 6_577 ?
Co32 Ge3 Co31 110.05(3) . 6_577 ?
Co32 Ge3 Co31 110.05(3) . 12_774 ?
Co32 Ge3 Co31 110.05(3) . . ?
P31 Co31 Ge3 178.93(8) . . ?
C31 Co31 Ge3 87.4(3) . . ?
C31 Co31 P31 93.4(3) . . ?
C33 Co31 Ge3 87.7(2) . . ?
C33 Co31 P31 92.6(2) . . ?
C33 Co31 C31 120.0(4) . . ?
C35 Co31 Ge3 87.3(2) . . ?
C35 Co31 P31 91.7(2) . . ?
C35 Co31 C31 119.4(4) . . ?
C35 Co31 C33 120.0(4) . . ?
P32 Co32 Ge3 180.00(6) . . ?
C37 Co32 Ge3 87.5(3) 12_774 . ?
C37 Co32 Ge3 87.5(3) 6_577 . ?
C37 Co32 Ge3 87.5(3) . . ?
C37 Co32 P32 92.5(3) 12_774 . ?
C37 Co32 P32 92.5(3) 6_577 . ?
C37 Co32 P32 92.5(3) . . ?
C37 Co32 C37 119.81(4) . 12_774 ?
C37 Co32 C37 119.81(4) . 6_577 ?
C37 Co32 C37 119.81(4) 12_774 6_577 ?
C311 P31 Co31 114.9(3) . . ?
C314 P31 Co31 115.0(3) . . ?
C314 P31 C311 102.0(5) . . ?
C317 P31 Co31 115.8(3) . . ?
C317 P31 C311 104.6(5) . . ?
C317 P31 C314 102.8(5) . . ?
C321 P32 Co32 116.4(3) 6_577 . ?
C321 P32 Co32 116.4(3) 12_774 . ?
C321 P32 Co32 116.4(3) . . ?
C321 P32 C321 101.7(4) 12_774 6_577 ?
C321 P32 C321 101.7(4) 12_774 . ?
C321 P32 C321 101.7(4) 6_577 . ?
O32 C31 Co31 175.7(7) . . ?
O34 C33 Co31 174.3(7) . . ?
O36 C35 Co31 174.5(7) . . ?
O38 C37 Co32 175.6(7) . . ?
C312 C311 P31 114.4(7) . . ?
C313 C312 C311 112.0(10) . . ?
C315 C314 P31 116.3(7) . . ?
C316 C315 C314 114.8(9) . . ?
C318 C317 P31 115.3(7) . . ?
C319 C318 C317 115.8(9) . . ?
C322 C321 P32 116.9(6) . . ?
C321 C322 C323 113.2(8) . . ?
Co41 Ge4 Co41 109.16(3) 5_564 . ?
Co41 Ge4 Co41 109.16(3) 9_465 . ?
Co41 Ge4 Co41 109.16(4) 9_465 5_564 ?
Co42 Ge4 Co41 109.78(3) . 9_465 ?
Co42 Ge4 Co41 109.78(3) . 5_564 ?
Co42 Ge4 Co41 109.78(3) . . ?
P41 Co41 Ge4 177.92(8) . . ?
C41 Co41 Ge4 88.1(2) . . ?
C41 Co41 P41 91.7(3) . . ?
C41 Co41 C45 119.2(4) . . ?
C43 Co41 Ge4 87.1(2) . . ?
C43 Co41 P41 91.3(2) . . ?
C43 Co41 C41 121.2(4) . . ?
C43 Co41 C45 119.2(4) . . ?
C45 Co41 Ge4 88.4(3) . . ?
C45 Co41 P41 93.5(3) . . ?
P42 Co42 Ge4 180.00(12) . . ?
C47 Co42 Ge4 87.6(2) . . ?
C47 Co42 Ge4 87.6(2) 9_465 . ?
C47 Co42 Ge4 87.6(2) 5_564 . ?
C47 Co42 P42 92.4(2) 9_465 . ?
C47 Co42 P42 92.4(2) . . ?
C47 Co42 P42 92.4(2) 5_564 . ?
C47 Co42 C47 119.83(4) . 9_465 ?
C47 Co42 C47 119.83(3) . 5_564 ?
C47 Co42 C47 119.83(3) 9_465 5_564 ?
C411 P41 Co41 114.4(3) . . ?
C414 P41 Co41 115.7(3) . . ?
C414 P41 C411 103.7(4) . . ?
C414 P41 C417 102.6(4) . . ?
C417 P41 Co41 115.9(3) . . ?
C417 P41 C411 103.0(4) . . ?
C421 P42 Co42 115.0(3) 9_465 . ?
C421 P42 Co42 115.0(3) . . ?
C421 P42 Co42 115.0(3) 5_564 . ?
C421 P42 C421 103.4(4) . 9_465 ?
C421 P42 C421 103.4(4) . 5_564 ?
C421 P42 C421 103.4(4) 9_465 5_564 ?
O42 C41 Co41 174.1(7) . . ?
O44 C43 Co41 174.3(7) . . ?
O46 C45 Co41 176.3(7) . . ?
O48 C47 Co42 175.0(7) . . ?
C412 C411 P41 114.0(6) . . ?
C411 C412 C413 113.7(9) . . ?
C415 C414 P41 114.2(7) . . ?
C414 C415 C416 113.9(10) . . ?
C418 C417 P41 115.4(6) . . ?
C419 C418 C417 112.5(9) . . ?
C422 C421 P42 115.1(7) . . ?
C423 C422 C421 115.0(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.8993(12)
2 0.1007(12)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1007
_database_code_depnum_ccdc_archive 'CCDC 2083204'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-07-15 downloaded from the CCDC.
;
_audit_creation_date             2020-11-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 Cl2 Co2 Ge O8'
_chemical_formula_sum            'C8 Cl2 Co2 Ge O8'
_chemical_formula_weight         485.43
_chemical_melting_point          ?
_chemical_oxdiff_formula         C8Cl2Co2GeO8
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1988(2)
_cell_length_b                   9.3202(2)
_cell_length_c                   11.3401(2)
_cell_angle_alpha                80.878(2)
_cell_angle_beta                 76.060(2)
_cell_angle_gamma                84.991(2)
_cell_volume                     728.15(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    39463
_cell_measurement_temperature    100.01(12)
_cell_measurement_theta_max      45.3510
_cell_measurement_theta_min      2.1880
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.699
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.452
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.214
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             464
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 0 -3 0.0257
2 0 3 0.0114
1 1 -2 0.0993
1 -3 -3 0.0990
-1 -3 2 0.0484
1 3 1 0.0610
0 -1 0 0.0696
-1 2 3 0.1464
-3 0 -2 0.0520
0 1 0 0.0649

_exptl_crystal_size_max          0.264
_exptl_crystal_size_mid          0.139
_exptl_crystal_size_min          0.037
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.9912 -0.0035 -3.0143 0.1430 -0.1956 -0.0493
1.9912 0.0035 3.0143 -0.1430 0.1956 0.0493
1.0114 0.9925 -1.9843 -0.0938 -0.0565 -0.1711
1.0157 -3.0030 -2.9727 0.1270 0.1375 -0.2564
-1.0115 -2.9891 1.9885 0.1998 0.1675 0.1575
0.9980 2.9957 1.0023 -0.2261 -0.0829 0.0162
-0.0001 -0.9983 0.0021 0.0530 0.0555 -0.0068
-1.0157 2.0047 2.9749 -0.0740 -0.0819 0.2495
-2.9980 0.0001 -2.0291 0.1925 -0.2229 0.0708
0.0001 0.9983 -0.0021 -0.0530 -0.0555 0.0068

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            98279
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         45.367
_diffrn_reflns_theta_min         2.216
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(12)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -8.00  77.00   0.50   12.50    --    0.62  36.00   5.00  170
  2  ω    -75.00  10.00   0.50   12.50    --    0.62 -36.00-150.00  170
  3  ω    -53.00  31.00   0.50   12.50    --  -45.08  36.00   5.00  168
  4  ω   -121.00 -37.00   0.50   12.50    --  -45.08 -36.00-150.00  168
  5  ω     38.00 123.00   0.50   12.50    --   46.33  36.00   5.00  170
  6  ω    -30.00  20.00   0.50   12.50    --   46.33 -36.00-150.00  100
  7  ω    -55.00  29.00   0.50   12.50    --  -45.08  48.00  45.45  168
  8  ω    -87.00 -28.00   0.50   12.50    --  -45.08 116.00 107.95  118
  9  ω    -91.00 -33.00   0.50   12.50    --  -45.08 124.00  66.50  116
 10  ω    -89.00 -31.00   0.50   12.50    --  -45.08 121.00 153.51  116
 11  ω    -82.00 -23.00   0.50   12.50    --  -45.08 108.00 -42.63  118
 12  ω    -96.00 -40.00   0.50   12.50    --  -45.08 134.00  83.01  112
 13  ω    -60.00 -34.00   0.50   12.50    --  -45.08 -53.00  36.23   52
 14  ω    -96.00 -40.00   0.50   12.50    --  -45.08 134.00-107.98  112
 15  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00-148.65   54
 16  ω   -121.00 -37.00   0.50   12.50    --  -45.08 -37.00  90.00  168
 17  ω    -97.00 -41.00   0.50   12.50    --  -45.08 135.00 -51.20  112
 18  ω    -57.00 -31.00   0.50   12.50    --  -45.08 -60.00 118.69   52
 19  ω   -120.00 -36.00   0.50   12.50    --  -45.08 -41.00  31.70  168
 20  ω    -85.00 -26.00   0.50   12.50    --  -45.08 113.00 -46.40  118
 21  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -55.00 162.59   54
 22  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -54.00-116.32   54
 23  ω   -119.00 -36.00   0.50   12.50    --  -45.08 -45.00 168.66  166
 24  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -54.00  64.28   54
 25  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00-102.36   54
 26  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -55.00 -22.56   54
 27  ω   -100.00 -45.00   0.50   12.50    --  -45.08 140.00 176.11  110
 28  ω    -87.00 -28.00   0.50   12.50    --  -45.08 116.00   4.81  118
 29  ω   -121.00 -37.00   0.50   12.50    --  -45.08 -37.00 -30.00  168
 30  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00 150.00   72
 31  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00 120.00   72
 32  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00   0.00   72
 33  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00 -90.00   72
 34  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00  60.00   72
 35  ω    -12.00  39.00   0.50   12.50    --    0.62  57.00 120.00  102
 36  ω    -53.00  32.00   0.50   12.50    --  -45.08  37.00-120.00  170
 37  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00   0.59   54
 38  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00 -69.85   54
 39  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00 -43.49   54
 40  ω    -53.00   4.00   0.50   12.50    --  -45.08  37.00 120.00  114
 41  ω   -123.00 -37.00   0.50   12.50    --  -45.08 -19.00-120.00  172
 42  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00-123.59   54
 43  ω    -57.00  29.00   0.50   12.50    --  -45.08  57.00-120.00  172
 44  ω    -57.00 -31.00   0.50   12.50    --  -45.08 -60.00  40.96   52
 45  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -59.00-173.79   54
 46  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -56.00 129.40   54
 47  ω    -57.00 -31.00   0.50   12.50    --  -45.08 -60.00 152.94   52
 48  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -55.00  68.91   54
 49  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -58.00  11.16   54
 50  ω    -60.00 -33.00   0.50   12.50    --  -45.08 -56.00 -37.18   54
 51  ω    -59.00 -32.00   0.50   12.50    --  -45.08 -58.00 -94.41   54
 52  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00 -60.00   72
 53  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00  90.00   72
 54  ω    -31.00   5.00   0.50   12.50    --   46.33 -19.00-120.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0581542000
_diffrn_orient_matrix_UB_12      -0.0531036000
_diffrn_orient_matrix_UB_13      -0.0089506000
_diffrn_orient_matrix_UB_21      0.0549404000
_diffrn_orient_matrix_UB_22      -0.0555713000
_diffrn_orient_matrix_UB_23      0.0286611000
_diffrn_orient_matrix_UB_31      -0.0627138000
_diffrn_orient_matrix_UB_32      0.0069717000
_diffrn_orient_matrix_UB_33      0.0577705000
_diffrn_oxdiff_digest_frames     
;
01c5e2253e3e7f29acde9b4b0af2a04c3c053123914
;
_diffrn_oxdiff_digest_hkl        
;
01ae4b997104f1bb68a062fec89180d692e601
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9829
_reflns_number_total             12217
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.966
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         12217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0248
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0279P)²+0.0318P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0571
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_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
Ge1 Ge 0.43862(2) 0.24590(2) 0.23069(2) 0.01256(2) Uani 1 1 d . . . . .
Co1 Co 0.22309(2) 0.21301(2) 0.11008(2) 0.01300(2) Uani 1 1 d . . . . .
Co2 Co 0.36691(2) 0.28866(2) 0.43951(2) 0.01607(2) Uani 1 1 d . . . . .
Cl1 Cl 0.62353(3) 0.42112(2) 0.12789(2) 0.02038(4) Uani 1 1 d . . . . .
Cl2 Cl 0.64533(3) 0.05509(2) 0.22145(2) 0.01862(3) Uani 1 1 d . . . . .
O12 O 0.56853(10) 0.20081(9) -0.09128(6) 0.02723(14) Uani 1 1 d . . . . .
O14 O 0.05328(11) 0.50555(8) 0.14843(7) 0.02501(13) Uani 1 1 d . . . . .
O16 O 0.10364(11) -0.05587(8) 0.27679(6) 0.02485(13) Uani 1 1 d . . . . .
O18 O -0.02450(10) 0.16984(8) -0.05239(6) 0.02318(12) Uani 1 1 d . . . . .
O22 O 0.15280(16) 0.55971(10) 0.37011(8) 0.0416(2) Uani 1 1 d . . . . .
O24 O 0.21607(13) -0.00292(9) 0.49494(7) 0.02982(15) Uani 1 1 d . . . . .
O26 O 0.78286(11) 0.31934(9) 0.39877(7) 0.02780(14) Uani 1 1 d . . . . .
O28 O 0.28243(14) 0.31827(9) 0.70277(6) 0.03290(17) Uani 1 1 d . . . . .
C11 C 0.43838(12) 0.20531(10) -0.01218(7) 0.01832(13) Uani 1 1 d . . . . .
C13 C 0.11927(11) 0.39211(9) 0.13661(7) 0.01742(12) Uani 1 1 d . . . . .
C15 C 0.15125(12) 0.04932(9) 0.21484(7) 0.01811(13) Uani 1 1 d . . . . .
C17 C 0.06733(12) 0.18735(9) 0.01156(7) 0.01718(12) Uani 1 1 d . . . . .
C21 C 0.23400(16) 0.45372(11) 0.39406(8) 0.02615(18) Uani 1 1 d . . . . .
C23 C 0.27285(13) 0.11044(10) 0.47161(7) 0.02080(14) Uani 1 1 d . . . . .
C25 C 0.62370(14) 0.30529(10) 0.41301(8) 0.02079(14) Uani 1 1 d . . . . .
C27 C 0.31374(15) 0.30854(10) 0.60183(8) 0.02286(15) Uani 1 1 d . . . . .


_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 Co1 2.36868(14) . ?
Ge1 Co2 2.38898(14) . ?
Ge1 Cl1 2.1969(2) . ?
Ge1 Cl2 2.2158(2) . ?
Co1 C11 1.8183(8) . ?
Co1 C13 1.8079(8) . ?
Co1 C15 1.8093(9) . ?
Co1 C17 1.8160(8) . ?
Co2 C21 1.8102(10) . ?
Co2 C23 1.7989(9) . ?
Co2 C25 1.8163(10) . ?
Co2 C27 1.8235(9) . ?
O12 C11 1.1333(10) . ?
O14 C13 1.1349(10) . ?
O16 C15 1.1386(11) . ?
O18 C17 1.1300(10) . ?
O22 C21 1.1322(13) . ?
O24 C23 1.1349(12) . ?
O26 C25 1.1342(12) . ?
O28 C27 1.1289(11) . ?

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
Co1 Ge1 Co2 128.424(5) . . ?
Cl1 Ge1 Co1 107.082(7) . . ?
Cl1 Ge1 Co2 105.248(7) . . ?
Cl1 Ge1 Cl2 101.205(9) . . ?
Cl2 Ge1 Co1 106.377(7) . . ?
Cl2 Ge1 Co2 105.398(7) . . ?
C11 Co1 Ge1 84.30(3) . . ?
C13 Co1 Ge1 87.16(3) . . ?
C13 Co1 C11 116.62(4) . . ?
C13 Co1 C15 123.15(4) . . ?
C13 Co1 C17 94.06(4) . . ?
C15 Co1 Ge1 88.20(3) . . ?
C15 Co1 C11 119.19(4) . . ?
C15 Co1 C17 93.12(4) . . ?
C17 Co1 Ge1 177.33(3) . . ?
C17 Co1 C11 93.03(4) . . ?
C21 Co2 Ge1 87.97(3) . . ?
C21 Co2 C25 114.94(5) . . ?
C21 Co2 C27 95.35(4) . . ?
C23 Co2 Ge1 84.24(3) . . ?
C23 Co2 C21 124.03(5) . . ?
C23 Co2 C25 119.25(4) . . ?
C23 Co2 C27 92.48(4) . . ?
C25 Co2 Ge1 84.50(3) . . ?
C25 Co2 C27 95.61(4) . . ?
C27 Co2 Ge1 176.27(3) . . ?
O12 C11 Co1 177.55(8) . . ?
O14 C13 Co1 177.19(8) . . ?
O16 C15 Co1 177.04(8) . . ?
O18 C17 Co1 177.75(8) . . ?
O22 C21 Co2 176.70(9) . . ?
O24 C23 Co2 177.85(9) . . ?
O26 C25 Co2 177.71(8) . . ?
O28 C27 Co2 178.68(9) . . ?

_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
;
_oxdiff_exptl_absorpt_empirical_full_max 3.521
_oxdiff_exptl_absorpt_empirical_full_min 0.756
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4_sq
_database_code_depnum_ccdc_archive 'CCDC 2083198'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2021-07-12 deposited with the CCDC.	2021-07-15 downloaded from the CCDC.
;
_audit_creation_date             2020-07-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C108 H189 Co8 Ge7 O24 P7, 0.5[], 0.5[C4H8O], 0.5[C4H8O]'
_chemical_formula_sum            'C112 H197 Co8 Ge7 O25 P7'
_chemical_formula_weight         3140.04
_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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   19.3128(19)
_cell_length_b                   19.3128(19)
_cell_length_c                   22.471(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     7258.5(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4103
_cell_measurement_temperature    150
_cell_measurement_theta_max      23.001
_cell_measurement_theta_min      2.183
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.445
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1855 before and 0.0611 after correction. The Ratio of minimum to maximum transmission is 0.7794. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             3148
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.174
_exptl_crystal_size_min          0.114
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1049
_diffrn_reflns_av_unetI/netI     0.0966
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            47737
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.386
_diffrn_reflns_theta_min         2.109
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5504
_reflns_number_total             9910
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.40A (Bruker, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.828
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         9910
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.1215
_refine_ls_R_factor_gt           0.0559
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0697P)²+3.4927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1331
_refine_ls_wR_factor_ref         0.1647
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C211-C213 = C212-C210 = C211-C210 = C210-C209
 1.54 with sigma of 0.02
 C310-C308 = C309-C307 = C314-C313 = C214-C212
 1.54 with sigma of 0.02
 C310-C308 \\sim C309-C307
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C307 \\sim C308: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C309 \\sim C310: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C211 \\sim C212: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C213 \\sim C214: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
4. Rigid body (RIGU) restrains
 C209, C210, C211, C212, C213, C214
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C311, C312, C313, C314, C315
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C305, C306, C307, C308, C309, C310
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H21C)=Sof(H21D)=Sof(C212)=Sof(H21G)=Sof(H21H)=Sof(C214)=Sof(H21L)=
 Sof(H21M)=Sof(H21N)=Sof(H30N)=Sof(H30O)=Sof(C307)=Sof(H30P)=Sof(H30Q)=
 Sof(C309)=Sof(H30T)=Sof(H30U)=Sof(H30V)=Sof(H31J)=Sof(H31K)=Sof(C315)=
 Sof(H31O)=Sof(H31P)=Sof(H31Q)=1-FVAR(1)
 Sof(H21A)=Sof(H21B)=Sof(C211)=Sof(H21E)=Sof(H21F)=Sof(C213)=Sof(H21I)=
 Sof(H21J)=Sof(H21K)=Sof(H30L)=Sof(H30M)=Sof(C308)=Sof(H30R)=Sof(H30S)=
 Sof(C310)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(H31H)=Sof(H31I)=Sof(C314)=
 Sof(H31L)=Sof(H31M)=Sof(H31N)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C103(H10E,H10F), C201(H20A,H20B), C202(H20C,
 H20D), C203(H20E,H20F), C205(H20J,H20K), C206(H20L,H20M), C207(H20N,H20O),
 C209(H20S,H20T), C210(H21A,H21B), C210(H21C,H21D), C211(H21E,H21F), C212(H21G,
 H21H), C301(H30A,H30B), C302(H30C,H30D), C303(H30E,H30F), C305(H30J,H30K),
 C306(H30L,H30M), C306(H30N,H30O), C307(H30P,H30Q), C308(H30R,H30S), C311(H31D,
 H31E), C312(H31F,H31G), C313(H31J,H31K), C313(H31H,H31I)
6.b Me refined with riding coordinates:
 C309(H30T,H30U,H30V), C310(H31A,H31B,H31C), C314(H31L,H31M,H31N)
6.c Idealised Me refined as rotating group:
 C104(H10G,H10H,H10I), C204(H20G,H20H,H20I), C208(H20P,H20Q,H20R), C213(H21I,
 H21J,H21K), C214(H21L,H21M,H21N), C304(H30G,H30H,H30I), C315(H31O,H31P,H31Q)
;
_atom_sites_solution_hydrogens   geom
_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
Ge1 Ge 0.3333 0.6667 0.68743(4) 0.0292(3) Uani 1 3 d S T P . .
Ge2 Ge 0.31206(4) 0.55181(4) 0.75311(2) 0.03027(17) Uani 1 1 d . . . . .
Ge3 Ge 0.22397(4) 0.57749(4) 0.81872(2) 0.03317(18) Uani 1 1 d . . . . .
Co1 Co 0.3333 0.6667 0.57986(6) 0.0364(4) Uani 1 3 d S T P . .
Co2 Co 0.28833(5) 0.42456(5) 0.71727(4) 0.0380(2) Uani 1 1 d . . . . .
Co3 Co 0.09428(5) 0.46814(5) 0.84963(4) 0.0451(3) Uani 1 1 d . . . . .
Co4 Co 0.3333 0.6667 0.89381(6) 0.0394(4) Uani 1 3 d S T P . .
P1 P 0.3333 0.6667 0.48250(12) 0.0437(7) Uani 1 3 d S T P . .
P2 P 0.26499(12) 0.30750(11) 0.68588(9) 0.0529(5) Uani 1 1 d . . . . .
P3 P -0.02472(12) 0.36884(12) 0.87597(10) 0.0629(6) Uani 1 1 d . . . . .
O12 O 0.3024(3) 0.7996(3) 0.5853(2) 0.0575(13) Uani 1 1 d . . . . .
O22 O 0.1244(3) 0.3871(3) 0.6961(2) 0.0569(13) Uani 1 1 d . . . . .
O24 O 0.4024(3) 0.5094(3) 0.6215(2) 0.0558(13) Uani 1 1 d . . . . .
O26 O 0.3455(3) 0.4052(3) 0.8324(2) 0.0667(15) Uani 1 1 d . . . . .
O32 O 0.0947(3) 0.5719(4) 0.9443(3) 0.0873(19) Uani 1 1 d . . . . .
O34 O 0.0351(3) 0.4806(3) 0.7333(2) 0.0619(14) Uani 1 1 d . . . . .
O36 O 0.1691(3) 0.3712(3) 0.8681(2) 0.0675(15) Uani 1 1 d . . . . .
O42 O 0.2717(3) 0.5144(3) 0.9572(2) 0.0651(15) Uani 1 1 d . . . . .
C11 C 0.3153(4) 0.7480(4) 0.5848(2) 0.0425(16) Uani 1 1 d . . . . .
C21 C 0.1902(4) 0.4033(4) 0.7060(3) 0.0433(16) Uani 1 1 d . . . . .
C23 C 0.3585(4) 0.4780(4) 0.6599(3) 0.0451(16) Uani 1 1 d . . . . .
C25 C 0.3237(4) 0.4144(4) 0.7872(3) 0.0459(16) Uani 1 1 d . . . . .
C31 C 0.0962(4) 0.5324(5) 0.9070(3) 0.060(2) Uani 1 1 d . . . . .
C33 C 0.0604(4) 0.4776(4) 0.7784(4) 0.0526(18) Uani 1 1 d . . . . .
C35 C 0.1412(4) 0.4105(4) 0.8601(3) 0.0490(17) Uani 1 1 d . . . . .
C41 C 0.2958(4) 0.5720(4) 0.9298(3) 0.0521(18) Uani 1 1 d . . . . .
C101 C 0.2603(4) 0.6849(4) 0.4462(3) 0.0514(18) Uani 1 1 d . . . . .
H10A H 0.2754 0.7414 0.4532 0.062 Uiso 1 1 calc R . . . .
H10B H 0.2635 0.6783 0.4028 0.062 Uiso 1 1 calc R . . . .
C102 C 0.1725(4) 0.6315(4) 0.4656(3) 0.0530(18) Uani 1 1 d . . . . .
H10C H 0.1580 0.5747 0.4628 0.064 Uiso 1 1 calc R . . . .
H10D H 0.1667 0.6429 0.5077 0.064 Uiso 1 1 calc R . . . .
C103 C 0.1156(5) 0.6452(5) 0.4273(3) 0.066(2) Uani 1 1 d . . . . .
H10E H 0.1211 0.6331 0.3853 0.079 Uiso 1 1 calc R . . . .
H10F H 0.1308 0.7023 0.4296 0.079 Uiso 1 1 calc R . . . .
C104 C 0.0279(5) 0.5935(6) 0.4464(4) 0.096(3) Uani 1 1 d . . . . .
H10G H -0.0068 0.5989 0.4172 0.144 Uiso 1 1 calc GR . . . .
H10H H 0.0203 0.6111 0.4855 0.144 Uiso 1 1 calc GR . . . .
H10I H 0.0142 0.5374 0.4487 0.144 Uiso 1 1 calc GR . . . .
C201 C 0.2253(5) 0.2284(4) 0.7406(4) 0.077(3) Uani 1 1 d . . . . .
H20A H 0.2115 0.1778 0.7201 0.092 Uiso 1 1 calc R . . . .
H20B H 0.2684 0.2393 0.7694 0.092 Uiso 1 1 calc R . . . .
C202 C 0.1529(5) 0.2155(4) 0.7753(4) 0.076(3) Uani 1 1 d . . . . .
H20C H 0.1662 0.2659 0.7960 0.092 Uiso 1 1 calc R . . . .
H20D H 0.1093 0.2038 0.7468 0.092 Uiso 1 1 calc R . . . .
C203 C 0.1225(6) 0.1504(6) 0.8201(5) 0.113(4) Uani 1 1 d . . . . .
H20E H 0.1022 0.0989 0.7988 0.136 Uiso 1 1 calc R . . . .
H20F H 0.1680 0.1580 0.8451 0.136 Uiso 1 1 calc R . . . .
C204 C 0.0590(6) 0.1443(6) 0.8594(5) 0.110(4) Uani 1 1 d . . . . .
H20G H 0.0112 0.1307 0.8357 0.165 Uiso 1 1 calc GR . . . .
H20H H 0.0771 0.1957 0.8794 0.165 Uiso 1 1 calc GR . . . .
H20I H 0.0462 0.1026 0.8892 0.165 Uiso 1 1 calc GR . . . .
C205 C 0.3511(5) 0.3042(4) 0.6570(3) 0.062(2) Uani 1 1 d . . . . .
H20J H 0.3345 0.2480 0.6472 0.075 Uiso 1 1 calc R . . . .
H20K H 0.3683 0.3352 0.6195 0.075 Uiso 1 1 calc R . . . .
C206 C 0.4220(4) 0.3362(5) 0.6987(3) 0.061(2) Uani 1 1 d . . . . .
H20L H 0.4393 0.3927 0.7081 0.073 Uiso 1 1 calc R . . . .
H20M H 0.4050 0.3056 0.7363 0.073 Uiso 1 1 calc R . . . .
C207 C 0.4922(5) 0.3319(5) 0.6737(4) 0.072(2) Uani 1 1 d . . . . .
H20N H 0.4756 0.2752 0.6658 0.087 Uiso 1 1 calc R . . . .
H20O H 0.5080 0.3608 0.6353 0.087 Uiso 1 1 calc R . . . .
C208 C 0.5634(6) 0.3668(6) 0.7145(4) 0.092(3) Uani 1 1 d . . . . .
H20P H 0.6101 0.3724 0.6929 0.138 Uiso 1 1 calc GR . . . .
H20Q H 0.5523 0.3313 0.7487 0.138 Uiso 1 1 calc GR . . . .
H20R H 0.5743 0.4194 0.7283 0.138 Uiso 1 1 calc GR . . . .
C209 C 0.1925(5) 0.2621(5) 0.6263(4) 0.078(2) Uani 1 1 d D U . . .
H20S H 0.1927 0.2135 0.6128 0.093 Uiso 1 1 calc R . . . .
H20T H 0.1387 0.2451 0.6426 0.093 Uiso 1 1 calc R . . . .
C210 C 0.2063(6) 0.3158(5) 0.5722(4) 0.091(3) Uani 1 1 d D U . . .
H21A H 0.2437 0.3121 0.5440 0.110 Uiso 0.319(10) 1 calc R . . A 1
H21B H 0.2296 0.3722 0.5849 0.110 Uiso 0.319(10) 1 calc R . . A 1
H21C H 0.2041 0.3638 0.5847 0.110 Uiso 0.681(10) 1 calc R . . A 2
H21D H 0.2600 0.3336 0.5555 0.110 Uiso 0.681(10) 1 calc R . . A 2
C211 C 0.1214(16) 0.286(3) 0.5410(14) 0.123(7) Uani 0.319(10) 1 d D U . A 1
H21E H 0.0833 0.2289 0.5502 0.148 Uiso 0.319(10) 1 calc R . . A 1
H21F H 0.0977 0.3189 0.5527 0.148 Uiso 0.319(10) 1 calc R . . A 1
C212 C 0.1427(13) 0.2705(12) 0.5246(9) 0.139(6) Uani 0.681(10) 1 d D U . A 2
H21G H 0.1646 0.2494 0.4943 0.167 Uiso 0.681(10) 1 calc R . . A 2
H21H H 0.0958 0.2246 0.5432 0.167 Uiso 0.681(10) 1 calc R . . A 2
C213 C 0.145(3) 0.297(3) 0.4764(14) 0.167(11) Uani 0.319(10) 1 d D U . A 1
H21I H 0.2000 0.3423 0.4724 0.251 Uiso 0.319(10) 1 calc GR . . A 1
H21J H 0.1087 0.3082 0.4536 0.251 Uiso 0.319(10) 1 calc GR . . A 1
H21K H 0.1430 0.2485 0.4611 0.251 Uiso 0.319(10) 1 calc GR . . A 1
C214 C 0.1175(16) 0.3208(13) 0.4958(10) 0.171(8) Uani 0.681(10) 1 d D U . A 2
H21L H 0.1641 0.3736 0.4883 0.257 Uiso 0.681(10) 1 calc GR . . A 2
H21M H 0.0797 0.3266 0.5215 0.257 Uiso 0.681(10) 1 calc GR . . A 2
H21N H 0.0914 0.2965 0.4579 0.257 Uiso 0.681(10) 1 calc GR . . A 2
C301 C -0.0863(4) 0.3052(4) 0.8131(4) 0.068(2) Uani 1 1 d . . . . .
H30A H -0.1376 0.2626 0.8295 0.082 Uiso 1 1 calc R . . . .
H30B H -0.0986 0.3385 0.7865 0.082 Uiso 1 1 calc R . . . .
C302 C -0.0504(5) 0.2664(5) 0.7762(3) 0.066(2) Uani 1 1 d . . . . .
H30C H 0.0067 0.3056 0.7691 0.079 Uiso 1 1 calc R . . . .
H30D H -0.0532 0.2210 0.7987 0.079 Uiso 1 1 calc R . . . .
C303 C -0.0912(5) 0.2370(5) 0.7182(4) 0.077(2) Uani 1 1 d . . . . .
H30E H -0.0891 0.2823 0.6961 0.092 Uiso 1 1 calc R . . . .
H30F H -0.1481 0.1974 0.7255 0.092 Uiso 1 1 calc R . . . .
C304 C -0.0551(5) 0.1989(5) 0.6802(4) 0.096(3) Uani 1 1 d . . . . .
H30G H -0.0906 0.1712 0.6466 0.144 Uiso 1 1 calc GR . . . .
H30H H -0.0481 0.1603 0.7040 0.144 Uiso 1 1 calc GR . . . .
H30I H -0.0030 0.2403 0.6651 0.144 Uiso 1 1 calc GR . . . .
C305 C -0.0888(5) 0.3978(6) 0.9147(4) 0.088(3) Uani 1 1 d . U . . .
H30J H -0.1387 0.3488 0.9264 0.106 Uiso 1 1 calc R . . . .
H30K H -0.0615 0.4265 0.9516 0.106 Uiso 1 1 calc R . . . .
C306 C -0.1095(6) 0.4486(6) 0.8796(4) 0.095(3) Uani 1 1 d . U . . .
H30L H -0.1547 0.4144 0.8529 0.113 Uiso 0.319(10) 1 calc R . . A 1
H30M H -0.0633 0.4845 0.8543 0.113 Uiso 0.319(10) 1 calc R . . A 1
H30N H -0.1443 0.4176 0.8459 0.113 Uiso 0.681(10) 1 calc R . . A 2
H30O H -0.0603 0.4943 0.8631 0.113 Uiso 0.681(10) 1 calc R . . A 2
C307 C -0.1516(15) 0.4786(12) 0.9175(11) 0.122(5) Uani 0.681(10) 1 d D U . A 2
H30P H -0.1182 0.5054 0.9528 0.147 Uiso 0.681(10) 1 calc R . . A 2
H30Q H -0.2023 0.4325 0.9317 0.147 Uiso 0.681(10) 1 calc R . . A 2
C308 C -0.136(3) 0.506(3) 0.923(3) 0.124(6) Uani 0.319(10) 1 d D U . A 1
H30R H -0.1263 0.5058 0.9666 0.149 Uiso 0.319(10) 1 calc R . . A 1
H30S H -0.1191 0.5605 0.9081 0.149 Uiso 0.319(10) 1 calc R . . A 1
C309 C -0.1707(11) 0.5381(12) 0.8851(7) 0.132(6) Uani 0.681(10) 1 d D U . A 2
H30T H -0.1984 0.5556 0.9125 0.197 Uiso 0.681(10) 1 calc R . . A 2
H30U H -0.1208 0.5846 0.8717 0.197 Uiso 0.681(10) 1 calc R . . A 2
H30V H -0.2050 0.5117 0.8506 0.197 Uiso 0.681(10) 1 calc R . . A 2
C310 C -0.218(2) 0.439(3) 0.9009(17) 0.148(9) Uani 0.319(10) 1 d D U . A 1
H31A H -0.2607 0.4469 0.9169 0.222 Uiso 0.319(10) 1 calc R . . A 1
H31B H -0.2193 0.4400 0.8573 0.222 Uiso 0.319(10) 1 calc R . . A 1
H31C H -0.2263 0.3869 0.9141 0.222 Uiso 0.319(10) 1 calc R . . A 1
C311 C -0.0251(5) 0.2953(5) 0.9278(4) 0.092(3) Uani 1 1 d . U . . .
H31D H -0.0811 0.2528 0.9350 0.111 Uiso 1 1 calc R . . . .
H31E H 0.0034 0.2701 0.9093 0.111 Uiso 1 1 calc R . . . .
C312 C 0.0141(7) 0.3319(6) 0.9869(4) 0.109(3) Uani 1 1 d . U . . .
H31F H 0.0703 0.3735 0.9796 0.131 Uiso 1 1 calc R . . . .
H31G H -0.0135 0.3585 1.0046 0.131 Uiso 1 1 calc R . . . .
C313 C 0.0127(10) 0.2734(9) 1.0304(6) 0.158(5) Uani 1 1 d D U . . .
H31J H 0.0377 0.3018 1.0680 0.189 Uiso 0.681(10) 1 calc R . . A 2
H31K H -0.0436 0.2333 1.0393 0.189 Uiso 0.681(10) 1 calc R . . A 2
H31H H 0.0202 0.2330 1.0088 0.189 Uiso 0.319(10) 1 calc R . . A 1
H31I H -0.0405 0.2453 1.0496 0.189 Uiso 0.319(10) 1 calc R . . A 1
C314 C 0.0797(17) 0.313(2) 1.0810(12) 0.139(12) Uani 0.319(10) 1 d D U . A 1
H31L H 0.0753 0.2708 1.1080 0.209 Uiso 0.319(10) 1 calc R . . A 1
H31M H 0.1328 0.3394 1.0626 0.209 Uiso 0.319(10) 1 calc R . . A 1
H31N H 0.0720 0.3518 1.1035 0.209 Uiso 0.319(10) 1 calc R . . A 1
C315 C 0.0510(15) 0.2348(14) 1.0118(8) 0.173(9) Uani 0.681(10) 1 d . U . A 2
H31O H 0.0132 0.1857 0.9909 0.260 Uiso 0.681(10) 1 calc GR . . A 2
H31P H 0.0731 0.2213 1.0462 0.260 Uiso 0.681(10) 1 calc GR . . A 2
H31Q H 0.0945 0.2695 0.9848 0.260 Uiso 0.681(10) 1 calc GR . . 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 Ge2 2.5212(8) 3_565 ?
Ge1 Ge2 2.5212(8) 2_665 ?
Ge1 Ge2 2.5212(8) . ?
Ge1 Co1 2.4171(16) . ?
Ge2 Ge3 2.4815(9) . ?
Ge2 Ge3 2.4833(9) 2_665 ?
Ge2 Co2 2.4025(10) . ?
Ge3 Ge2 2.4833(9) 3_565 ?
Ge3 Co3 2.4343(11) . ?
Ge3 Co4 2.5762(11) . ?
Co1 P1 2.188(3) . ?
Co1 C11 1.775(8) 3_565 ?
Co1 C11 1.775(7) . ?
Co1 C11 1.775(8) 2_665 ?
Co2 P2 2.1892(19) . ?
Co2 C21 1.745(8) . ?
Co2 C23 1.778(7) . ?
Co2 C25 1.763(7) . ?
Co3 P3 2.214(2) . ?
Co3 C31 1.776(9) . ?
Co3 C33 1.772(8) . ?
Co3 C35 1.767(8) . ?
Co4 Ge3 2.5762(11) 2_665 ?
Co4 Ge3 2.5762(11) 3_565 ?
Co4 C41 1.787(8) 3_565 ?
Co4 C41 1.787(8) 2_665 ?
Co4 C41 1.787(8) . ?
P1 C101 1.811(6) . ?
P1 C101 1.811(7) 3_565 ?
P1 C101 1.811(6) 2_665 ?
P2 C201 1.806(8) . ?
P2 C205 1.816(7) . ?
P2 C209 1.815(8) . ?
P3 C301 1.860(8) . ?
P3 C305 1.814(8) . ?
P3 C311 1.833(9) . ?
O12 C11 1.142(7) . ?
O22 C21 1.168(7) . ?
O24 C23 1.149(7) . ?
O26 C25 1.147(7) . ?
O32 C31 1.144(8) . ?
O34 C33 1.140(8) . ?
O36 C35 1.143(8) . ?
O42 C41 1.147(8) . ?
C101 C102 1.543(9) . ?
C102 C103 1.519(9) . ?
C103 C104 1.536(11) . ?
C201 C202 1.509(10) . ?
C202 C203 1.483(11) . ?
C203 C204 1.468(12) . ?
C205 C206 1.512(10) . ?
C206 C207 1.509(9) . ?
C207 C208 1.502(11) . ?
C209 C210 1.532(10) . ?
C210 C211 1.601(18) . ?
C210 C212 1.532(13) . ?
C211 C213 1.51(2) . ?
C212 C214 1.439(16) . ?
C301 C302 1.499(10) . ?
C302 C303 1.482(10) . ?
C303 C304 1.508(11) . ?
C305 C306 1.463(12) . ?
C306 C307 1.48(2) . ?
C306 C308 1.74(5) . ?
C307 C309 1.553(15) . ?
C308 C310 1.550(16) . ?
C311 C312 1.518(13) . ?
C312 C313 1.486(14) . ?
C313 C314 1.599(18) . ?
C313 C315 1.35(2) . ?

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
Ge2 Ge1 Ge2 89.19(3) 2_665 . ?
Ge2 Ge1 Ge2 89.19(3) 3_565 . ?
Ge2 Ge1 Ge2 89.19(3) 3_565 2_665 ?
Co1 Ge1 Ge2 125.84(2) . 2_665 ?
Co1 Ge1 Ge2 125.84(2) . 3_565 ?
Co1 Ge1 Ge2 125.83(2) . . ?
Ge3 Ge2 Ge1 89.91(3) . . ?
Ge3 Ge2 Ge1 89.87(3) 2_665 . ?
Ge3 Ge2 Ge3 85.55(3) . 2_665 ?
Co2 Ge2 Ge1 124.58(4) . . ?
Co2 Ge2 Ge3 127.33(4) . 2_665 ?
Co2 Ge2 Ge3 127.19(3) . . ?
Ge2 Ge3 Ge2 90.97(3) . 3_565 ?
Ge2 Ge3 Co4 96.15(3) 3_565 . ?
Ge2 Ge3 Co4 96.19(3) . . ?
Co3 Ge3 Ge2 120.46(3) . . ?
Co3 Ge3 Ge2 123.08(4) . 3_565 ?
Co3 Ge3 Co4 122.49(4) . . ?
P1 Co1 Ge1 180.0 . . ?
C11 Co1 Ge1 86.38(18) 2_665 . ?
C11 Co1 Ge1 86.38(18) 3_565 . ?
C11 Co1 Ge1 86.38(18) . . ?
C11 Co1 P1 93.62(18) 2_665 . ?
C11 Co1 P1 93.62(18) . . ?
C11 Co1 P1 93.62(18) 3_565 . ?
C11 Co1 C11 119.60(4) . 3_565 ?
C11 Co1 C11 119.61(4) . 2_665 ?
C11 Co1 C11 119.61(4) 2_665 3_565 ?
P2 Co2 Ge2 178.93(7) . . ?
C21 Co2 Ge2 85.3(2) . . ?
C21 Co2 P2 94.1(2) . . ?
C21 Co2 C23 117.0(3) . . ?
C21 Co2 C25 122.6(3) . . ?
C23 Co2 Ge2 87.0(2) . . ?
C23 Co2 P2 94.0(2) . . ?
C25 Co2 Ge2 85.9(2) . . ?
C25 Co2 P2 93.7(2) . . ?
C25 Co2 C23 119.1(3) . . ?
P3 Co3 Ge3 178.83(8) . . ?
C31 Co3 Ge3 87.0(2) . . ?
C31 Co3 P3 93.5(2) . . ?
C33 Co3 Ge3 85.7(2) . . ?
C33 Co3 P3 93.1(2) . . ?
C33 Co3 C31 117.6(3) . . ?
C35 Co3 Ge3 87.4(2) . . ?
C35 Co3 P3 93.2(2) . . ?
C35 Co3 C31 120.4(3) . . ?
C35 Co3 C33 121.1(3) . . ?
Ge3 Co4 Ge3 81.75(4) 3_565 2_665 ?
Ge3 Co4 Ge3 81.75(4) . 2_665 ?
Ge3 Co4 Ge3 81.75(4) 3_565 . ?
C41 Co4 Ge3 95.8(2) 3_565 . ?
C41 Co4 Ge3 95.8(2) . 2_665 ?
C41 Co4 Ge3 162.3(2) 2_665 . ?
C41 Co4 Ge3 95.8(2) 2_665 3_565 ?
C41 Co4 Ge3 162.3(2) . 3_565 ?
C41 Co4 Ge3 80.5(2) . . ?
C41 Co4 Ge3 162.3(2) 3_565 2_665 ?
C41 Co4 Ge3 80.5(2) 3_565 3_565 ?
C41 Co4 Ge3 80.5(2) 2_665 2_665 ?
C41 Co4 C41 101.1(3) 3_565 . ?
C41 Co4 C41 101.1(3) . 2_665 ?
C41 Co4 C41 101.1(3) 3_565 2_665 ?
C101 P1 Co1 116.8(2) 2_665 . ?
C101 P1 Co1 116.8(2) . . ?
C101 P1 Co1 116.8(2) 3_565 . ?
C101 P1 C101 101.3(3) . 2_665 ?
C101 P1 C101 101.3(3) 3_565 2_665 ?
C101 P1 C101 101.3(3) . 3_565 ?
C201 P2 Co2 115.8(3) . . ?
C201 P2 C205 102.9(4) . . ?
C201 P2 C209 101.3(4) . . ?
C205 P2 Co2 115.6(2) . . ?
C209 P2 Co2 116.5(3) . . ?
C209 P2 C205 102.6(4) . . ?
C301 P3 Co3 114.4(2) . . ?
C305 P3 Co3 115.7(3) . . ?
C305 P3 C301 105.0(4) . . ?
C305 P3 C311 101.2(4) . . ?
C311 P3 Co3 116.2(3) . . ?
C311 P3 C301 102.5(4) . . ?
O12 C11 Co1 176.7(5) . . ?
O22 C21 Co2 176.9(6) . . ?
O24 C23 Co2 176.9(6) . . ?
O26 C25 Co2 177.7(6) . . ?
O32 C31 Co3 177.7(7) . . ?
O34 C33 Co3 176.7(6) . . ?
O36 C35 Co3 177.4(6) . . ?
O42 C41 Co4 174.3(6) . . ?
C102 C101 P1 116.4(4) . . ?
C103 C102 C101 111.8(6) . . ?
C102 C103 C104 112.7(7) . . ?
C202 C201 P2 117.3(6) . . ?
C203 C202 C201 115.6(7) . . ?
C204 C203 C202 115.8(9) . . ?
C206 C205 P2 115.0(5) . . ?
C207 C206 C205 113.8(6) . . ?
C208 C207 C206 113.3(7) . . ?
C210 C209 P2 115.3(6) . . ?
C209 C210 C211 107.6(17) . . ?
C212 C210 C209 110.5(11) . . ?
C213 C211 C210 101(3) . . ?
C214 C212 C210 112.0(15) . . ?
C302 C301 P3 116.6(5) . . ?
C303 C302 C301 112.9(7) . . ?
C302 C303 C304 113.6(7) . . ?
C306 C305 P3 113.9(6) . . ?
C305 C306 C307 109.9(11) . . ?
C305 C306 C308 113(2) . . ?
C306 C307 C309 113.6(18) . . ?
C310 C308 C306 77(2) . . ?
C312 C311 P3 112.7(7) . . ?
C313 C312 C311 114.0(10) . . ?
C312 C313 C314 113.9(17) . . ?
C315 C313 C312 114.1(14) . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 88 electrons were found in a volume of 404Å³ in 3 voids per unit cell.
This is consistent with the presence of 0.5[], 0.5[C4H8O], 0.5[C4H8O] per Formula Unit which account for 80 electrons per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 37 11 ' '
2 0.000 0.000 0.500 303 39 '1 THF'
3 0.333 0.667 0.158 32 19 '0.5 THF'
4 0.667 0.333 0.842 32 19 '0.5 THF'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2083202'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2021-06-17 deposited with the CCDC.	2021-07-15 downloaded from the CCDC.
;
_audit_creation_date             2021-06-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H81 Cl Co3 Ge O9 P3'
_chemical_formula_sum            'C45 H81 Cl Co3 Ge O9 P3'
_chemical_formula_weight         1143.83
_chemical_absolute_configuration ?
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   43.184(3)
_cell_length_b                   12.2679(8)
_cell_length_c                   21.4813(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11380.2(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6090
_cell_measurement_temperature    150
_cell_measurement_theta_max      19.321
_cell_measurement_theta_min      2.378
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1228 before and 0.0759 after correction. The Ratio of minimum to maximum transmission is 0.8143. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4784
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.126
_exptl_crystal_size_min          0.076
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1102
_diffrn_reflns_av_unetI/netI     0.1026
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            102875
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.376
_diffrn_reflns_theta_min         1.909
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.944
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                15319
_reflns_number_total             23226
_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 V8.40A (Bruker, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 
;
 Flack x determined using 5491 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.015(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1211
_refine_ls_number_reflns         23226
_refine_ls_number_restraints     297
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0539
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0415P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1270
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C614-C613 = C615-C614 = C616-C615 = C612-C611 = C611-C610 = C610-C609
 1.54 with sigma of 0.02
 C608-C607 = C602-C607 = C602-C601
 1.54 with sigma of 0.02
 C619-C623 = C622-C623 = C619-C618 = C622-C618 = C617-C618 = C621-C618 = C602-
 C601 = C602-C607 = C608-C607
 1.54 with sigma of 0.02
 C619-C620 = C623-C622
 1.54 with sigma of 0.02
 C613-C615
 2.54 with sigma of 0.04
 C609-C611
 2.54 with sigma of 0.04
 C613-C614 \\sim C614-C615
 with sigma of 0.02
 C609-C610 \\sim C610-C611
 with sigma of 0.02
 C613-C615 \\sim C614-C616
 with sigma of 0.02
 C609-C611 \\sim C610-C612
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C617 \\sim C621: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C613 \\sim C614 \\sim C615: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
C609 \\sim C610 \\sim C611: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
C609 \\sim C610 \\sim C611 \\sim C612 \\sim C613 \\sim C614 \\sim C615 \\sim
C616: within 6A with sigma of 0.01 and sigma for terminal atoms of 0.02
C601 \\sim C605: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C602 \\sim C606: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C603 \\sim C607: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C604 \\sim C608: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C620 \\sim C623: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C619) \\sim Ueq, Uanis(C622) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C607) \\sim Ueq, Uanis(C601) \\sim Ueq, Uanis(C602) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C623) \\sim Ueq, Uanis(C620) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C613, C614, C615
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C609, C610, C611
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C601, C602, C607, C608
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C605)=Sof(H60N)=Sof(H60O)=Sof(C606)=Sof(H60L)=Sof(H60M)=Sof(C607)=
 Sof(H60E)=Sof(H60F)=Sof(C608)=Sof(H60G)=Sof(H60H)=Sof(H60I)=Sof(C613)=
 Sof(H61H)=Sof(H61I)=Sof(C614)=Sof(H61J)=Sof(H61K)=Sof(C615)=Sof(H61L)=
 Sof(H61M)=Sof(C616)=Sof(H61N)=Sof(H61O)=Sof(H61P)=Sof(H61U)=Sof(H61V)=
 Sof(C619)=Sof(H61W)=Sof(H61X)=Sof(C620)=Sof(H62H)=Sof(H62I)=Sof(H62J)=
 Sof(C621)=Sof(H62A)=Sof(H62B)=1-FVAR(1)
 Sof(C601)=Sof(H60A)=Sof(H60B)=Sof(C602)=Sof(H60C)=Sof(H60D)=Sof(C603)=
 Sof(H60P)=Sof(H60Q)=Sof(C604)=Sof(H60R)=Sof(H60S)=Sof(H60T)=Sof(C609)=
 Sof(H60J)=Sof(H60K)=Sof(C610)=Sof(H61A)=Sof(H61B)=Sof(C611)=Sof(H61C)=
 Sof(H61D)=Sof(C612)=Sof(H61E)=Sof(H61F)=Sof(H61G)=Sof(C617)=Sof(H61Q)=
 Sof(H61R)=Sof(H61S)=Sof(H61T)=Sof(C622)=Sof(H62C)=Sof(H62D)=Sof(C623)=
 Sof(H62E)=Sof(H62F)=Sof(H62G)=FVAR(1)
6.a Free rotating group:
 C609(C610,C611), C613(C614,C615)
6.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C103(H10E,H10F), C105(H10J,H10K), C106(H10L,
 H10M), C107(H10N,H10O), C109(H10S,H10T), C110(H11A,H11B), C111(H11C,H11D),
 C201(H20A,H20B), C202(H20C,H20D), C203(H20E,H20F), C205(H20J,H20K), C206(H20L,
 H20M), C207(H20N,H20O), C209(H20S,H20T), C210(H21A,H21B), C211(H21C,H21D),
 C301(H30A,H30B), C302(H30C,H30D), C303(H30E,H30F), C305(H30J,H30K), C306(H30L,
 H30M), C307(H30N,H30O), C309(H30S,H30T), C310(H31A,H31B), C311(H31C,H31D),
 C401(H40A,H40B), C402(H40C,H40D), C403(H40E,H40F), C405(H40J,H40K), C406(H40L,
 H40M), C407(H40N,H40O), C409(H40S,H40T), C410(H41A,H41B), C411(H41C,H41D),
 C501(H50A,H50B), C502(H50C,H50D), C503(H50E,H50F), C505(H50J,H50K), C506(H50L,
 H50M), C507(H50N,H50O), C509(H50S,H50T), C510(H51A,H51B), C511(H51C,H51D),
 C601(H60A,H60B), C602(H60C,H60D), C603(H60P,H60Q), C605(H60N,H60O), C606(H60L,
 H60M), C607(H60E,H60F), C609(H60J,H60K), C610(H61A,H61B), C611(H61C,H61D),
 C613(H61H,H61I), C614(H61J,H61K), C615(H61L,H61M), C617(H61Q,H61R), C618(H61U,
 H61V), C618(H61S,H61T), C619(H61W,H61X), C621(H62A,H62B), C622(H62C,H62D)
6.c Me refined with riding coordinates:
 C104(H10G,H10H,H10I), C108(H10P,H10Q,H10R), C112(H11E,H11F,H11G), C204(H20G,
 H20H,H20I), C208(H20P,H20Q,H20R), C212(H21E,H21F,H21G), C304(H30G,H30H,H30I),
 C308(H30P,H30Q,H30R), C312(H31E,H31F,H31G), C404(H40G,H40H,H40I), C408(H40P,
 H40Q,H40R), C412(H41E,H41F,H41G), C504(H50G,H50H,H50I), C508(H50P,H50Q,H50R),
 C512(H51E,H51F,H51G), C604(H60R,H60S,H60T), C608(H60G,H60H,H60I), C612(H61E,
 H61F,H61G), C616(H61N,H61O,H61P), C620(H62H,H62I,H62J), C623(H62E,H62F,H62G)
;
_atom_sites_solution_hydrogens   geom
_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
Ge1 Ge 0.04107(2) 0.53429(7) 0.49539(4) 0.0252(2) Uani 1 1 d . . . . .
Co1 Co 0.08591(3) 0.46371(9) 0.55251(5) 0.0297(3) Uani 1 1 d . . . . .
Co2 Co 0.03528(3) 0.73209(9) 0.50157(6) 0.0294(3) Uani 1 1 d . . . . .
Co3 Co 0.03593(3) 0.46415(9) 0.38933(5) 0.0287(3) Uani 1 1 d . . . . .
Cl1 Cl -0.00100(5) 0.46601(18) 0.54720(11) 0.0361(5) Uani 1 1 d . . . . .
P1 P 0.12940(6) 0.4069(2) 0.59722(12) 0.0366(6) Uani 1 1 d . . . . .
P2 P 0.03542(5) 0.91273(17) 0.50455(11) 0.0334(5) Uani 1 1 d . . . . .
P3 P 0.03349(6) 0.4108(2) 0.29098(11) 0.0348(6) Uani 1 1 d . . . . .
O12 O 0.05355(16) 0.2577(6) 0.5760(3) 0.0478(18) Uani 1 1 d . . . . .
O14 O 0.12065(16) 0.4923(6) 0.4374(3) 0.0511(19) Uani 1 1 d . . . . .
O16 O 0.07785(19) 0.6335(6) 0.6462(3) 0.063(2) Uani 1 1 d . . . . .
O22 O 0.0102(2) 0.7159(6) 0.6272(3) 0.069(2) Uani 1 1 d . . . . .
O24 O -0.01070(18) 0.7325(6) 0.4022(4) 0.062(2) Uani 1 1 d . . . . .
O26 O 0.10167(15) 0.7394(5) 0.4789(3) 0.0476(18) Uani 1 1 d . . . . .
O32 O 0.07475(16) 0.6456(5) 0.3500(3) 0.0427(17) Uani 1 1 d . . . . .
O34 O 0.06291(17) 0.2572(6) 0.4278(3) 0.0480(19) Uani 1 1 d . . . . .
O36 O -0.03128(15) 0.4850(6) 0.3991(3) 0.0521(19) Uani 1 1 d . . . . .
C11 C 0.0657(2) 0.3391(9) 0.5661(4) 0.037(2) Uani 1 1 d . . . . .
C13 C 0.1063(2) 0.4837(7) 0.4815(5) 0.039(2) Uani 1 1 d . . . . .
C15 C 0.0802(2) 0.5696(8) 0.6086(4) 0.041(2) Uani 1 1 d . . . . .
C21 C 0.0202(2) 0.7196(7) 0.5776(5) 0.040(2) Uani 1 1 d . . . . .
C23 C 0.0073(2) 0.7281(8) 0.4410(5) 0.042(3) Uani 1 1 d . . . . .
C25 C 0.0755(2) 0.7338(6) 0.4872(4) 0.033(2) Uani 1 1 d . . . . .
C31 C 0.0598(2) 0.5763(7) 0.3670(4) 0.030(2) Uani 1 1 d . . . . .
C33 C 0.0521(2) 0.3387(8) 0.4141(4) 0.036(2) Uani 1 1 d . . . . .
C35 C -0.0048(2) 0.4783(7) 0.3965(4) 0.035(2) Uani 1 1 d . . . . .
C101 C 0.1637(2) 0.4855(8) 0.5755(5) 0.047(3) Uani 1 1 d . . . . .
H10A H 0.1813 0.4623 0.6020 0.057 Uiso 1 1 calc R . . . .
H10B H 0.1691 0.4686 0.5318 0.057 Uiso 1 1 calc R . . . .
C102 C 0.1594(2) 0.6093(8) 0.5821(5) 0.051(3) Uani 1 1 d . . . . .
H10C H 0.1393 0.6301 0.5633 0.061 Uiso 1 1 calc R . . . .
H10D H 0.1585 0.6279 0.6269 0.061 Uiso 1 1 calc R . . . .
C103 C 0.1846(3) 0.6744(9) 0.5522(6) 0.068(3) Uani 1 1 d . . . . .
H10E H 0.1871 0.6497 0.5086 0.082 Uiso 1 1 calc R . . . .
H10F H 0.2043 0.6597 0.5742 0.082 Uiso 1 1 calc R . . . .
C104 C 0.1787(3) 0.7958(9) 0.5524(7) 0.086(4) Uani 1 1 d . . . . .
H10G H 0.1961 0.8333 0.5322 0.129 Uiso 1 1 calc R . . . .
H10H H 0.1596 0.8114 0.5297 0.129 Uiso 1 1 calc R . . . .
H10I H 0.1768 0.8214 0.5954 0.129 Uiso 1 1 calc R . . . .
C105 C 0.1308(2) 0.4077(9) 0.6821(4) 0.048(3) Uani 1 1 d . . . . .
H10J H 0.1504 0.3725 0.6954 0.057 Uiso 1 1 calc R . . . .
H10K H 0.1315 0.4843 0.6964 0.057 Uiso 1 1 calc R . . . .
C106 C 0.1037(2) 0.3499(9) 0.7148(4) 0.049(3) Uani 1 1 d . . . . .
H10L H 0.0847 0.3933 0.7082 0.059 Uiso 1 1 calc R . . . .
H10M H 0.1005 0.2780 0.6949 0.059 Uiso 1 1 calc R . . . .
C107 C 0.1082(2) 0.3333(9) 0.7838(4) 0.051(3) Uani 1 1 d . . . . .
H10N H 0.1262 0.2843 0.7902 0.062 Uiso 1 1 calc R . . . .
H10O H 0.1133 0.4044 0.8030 0.062 Uiso 1 1 calc R . . . .
C108 C 0.0809(3) 0.2864(11) 0.8163(6) 0.082(4) Uani 1 1 d . . . . .
H10P H 0.0856 0.2781 0.8607 0.123 Uiso 1 1 calc R . . . .
H10Q H 0.0631 0.3353 0.8113 0.123 Uiso 1 1 calc R . . . .
H10R H 0.0760 0.2150 0.7984 0.123 Uiso 1 1 calc R . . . .
C109 C 0.1403(3) 0.2673(9) 0.5800(5) 0.056(3) Uani 1 1 d . . . . .
H10S H 0.1610 0.2537 0.5984 0.067 Uiso 1 1 calc R . . . .
H10T H 0.1255 0.2182 0.6012 0.067 Uiso 1 1 calc R . . . .
C110 C 0.1415(2) 0.2355(8) 0.5111(5) 0.052(3) Uani 1 1 d . . . . .
H11A H 0.1218 0.2572 0.4910 0.062 Uiso 1 1 calc R . . . .
H11B H 0.1584 0.2766 0.4907 0.062 Uiso 1 1 calc R . . . .
C111 C 0.1466(2) 0.1160(8) 0.5006(6) 0.059(3) Uani 1 1 d . . . . .
H11C H 0.1660 0.0938 0.5216 0.071 Uiso 1 1 calc R . . . .
H11D H 0.1294 0.0749 0.5199 0.071 Uiso 1 1 calc R . . . .
C112 C 0.1486(3) 0.0861(11) 0.4334(7) 0.090(5) Uani 1 1 d . . . . .
H11E H 0.1519 0.0074 0.4295 0.135 Uiso 1 1 calc R . . . .
H11F H 0.1293 0.1062 0.4124 0.135 Uiso 1 1 calc R . . . .
H11G H 0.1659 0.1252 0.4141 0.135 Uiso 1 1 calc R . . . .
C201 C 0.0611(2) 0.9741(8) 0.4478(4) 0.043(3) Uani 1 1 d . . . . .
H20A H 0.0604 1.0543 0.4528 0.052 Uiso 1 1 calc R . . . .
H20B H 0.0825 0.9500 0.4564 0.052 Uiso 1 1 calc R . . . .
C202 C 0.0531(2) 0.9461(7) 0.3807(4) 0.044(3) Uani 1 1 d . . . . .
H20C H 0.0315 0.9691 0.3721 0.053 Uiso 1 1 calc R . . . .
H20D H 0.0542 0.8660 0.3752 0.053 Uiso 1 1 calc R . . . .
C203 C 0.0746(3) 1.0003(9) 0.3338(5) 0.053(3) Uani 1 1 d . . . . .
H20E H 0.0739 1.0802 0.3400 0.064 Uiso 1 1 calc R . . . .
H20F H 0.0961 0.9757 0.3416 0.064 Uiso 1 1 calc R . . . .
C204 C 0.0661(3) 0.9749(11) 0.2672(5) 0.090(5) Uani 1 1 d . . . . .
H20G H 0.0806 1.0117 0.2391 0.136 Uiso 1 1 calc R . . . .
H20H H 0.0671 0.8960 0.2604 0.136 Uiso 1 1 calc R . . . .
H20I H 0.0450 1.0006 0.2588 0.136 Uiso 1 1 calc R . . . .
C205 C -0.0019(2) 0.9781(6) 0.4930(5) 0.045(2) Uani 1 1 d . . . . .
H20J H -0.0117 0.9459 0.4557 0.053 Uiso 1 1 calc R . . . .
H20K H -0.0153 0.9607 0.5291 0.053 Uiso 1 1 calc R . . . .
C206 C -0.0013(2) 1.1026(7) 0.4850(6) 0.054(3) Uani 1 1 d . . . . .
H20L H 0.0130 1.1336 0.5163 0.065 Uiso 1 1 calc R . . . .
H20M H 0.0073 1.1195 0.4433 0.065 Uiso 1 1 calc R . . . .
C207 C -0.0324(2) 1.1591(7) 0.4913(5) 0.052(3) Uani 1 1 d . . . . .
H20N H -0.0305 1.2349 0.4761 0.062 Uiso 1 1 calc R . . . .
H20O H -0.0477 1.1212 0.4648 0.062 Uiso 1 1 calc R . . . .
C208 C -0.0439(3) 1.1608(10) 0.5562(6) 0.082(4) Uani 1 1 d . . . . .
H20P H -0.0639 1.1980 0.5576 0.123 Uiso 1 1 calc R . . . .
H20Q H -0.0462 1.0859 0.5712 0.123 Uiso 1 1 calc R . . . .
H20R H -0.0290 1.1997 0.5826 0.123 Uiso 1 1 calc R . . . .
C209 C 0.0481(3) 0.9715(7) 0.5788(5) 0.048(3) Uani 1 1 d . . . . .
H20S H 0.0483 1.0519 0.5746 0.058 Uiso 1 1 calc R . . . .
H20T H 0.0326 0.9528 0.6110 0.058 Uiso 1 1 calc R . . . .
C210 C 0.0796(3) 0.9354(9) 0.6013(5) 0.057(3) Uani 1 1 d . . . . .
H21A H 0.0950 0.9448 0.5677 0.069 Uiso 1 1 calc R . . . .
H21B H 0.0789 0.8573 0.6128 0.069 Uiso 1 1 calc R . . . .
C211 C 0.0887(3) 1.0036(12) 0.6577(6) 0.084(4) Uani 1 1 d . . . . .
H21C H 0.0889 1.0817 0.6460 0.101 Uiso 1 1 calc R . . . .
H21D H 0.0732 0.9935 0.6911 0.101 Uiso 1 1 calc R . . . .
C212 C 0.1190(4) 0.9727(13) 0.6804(8) 0.137(8) Uani 1 1 d . . . . .
H21E H 0.1244 1.0176 0.7166 0.205 Uiso 1 1 calc R . . . .
H21F H 0.1188 0.8957 0.6925 0.205 Uiso 1 1 calc R . . . .
H21G H 0.1344 0.9838 0.6475 0.205 Uiso 1 1 calc R . . . .
C301 C 0.0101(3) 0.4933(10) 0.2395(5) 0.071(4) Uani 1 1 d . . . . .
H30A H 0.0157 0.4735 0.1962 0.086 Uiso 1 1 calc R . . . .
H30B H -0.0117 0.4719 0.2457 0.086 Uiso 1 1 calc R . . . .
C302 C 0.0119(3) 0.6145(8) 0.2446(4) 0.048(3) Uani 1 1 d . . . . .
H30C H 0.0063 0.6340 0.2879 0.058 Uiso 1 1 calc R . . . .
H30D H 0.0338 0.6355 0.2387 0.058 Uiso 1 1 calc R . . . .
C303 C -0.0064(4) 0.6819(10) 0.2041(5) 0.084(4) Uani 1 1 d . . . . .
H30E H -0.0280 0.6552 0.2067 0.101 Uiso 1 1 calc R . . . .
H30F H 0.0008 0.6674 0.1611 0.101 Uiso 1 1 calc R . . . .
C304 C -0.0074(3) 0.8003(9) 0.2116(5) 0.071(4) Uani 1 1 d . . . . .
H30G H -0.0210 0.8318 0.1798 0.106 Uiso 1 1 calc R . . . .
H30H H -0.0155 0.8181 0.2530 0.106 Uiso 1 1 calc R . . . .
H30I H 0.0135 0.8304 0.2071 0.106 Uiso 1 1 calc R . . . .
C305 C 0.0714(3) 0.4115(12) 0.2513(5) 0.080(4) Uani 1 1 d . . . . .
H30J H 0.0683 0.3852 0.2082 0.096 Uiso 1 1 calc R . . . .
H30K H 0.0786 0.4881 0.2485 0.096 Uiso 1 1 calc R . . . .
C306 C 0.0963(2) 0.3471(10) 0.2792(5) 0.055(3) Uani 1 1 d . . . . .
H30L H 0.0881 0.2730 0.2868 0.065 Uiso 1 1 calc R . . . .
H30M H 0.1010 0.3793 0.3204 0.065 Uiso 1 1 calc R . . . .
C307 C 0.1263(3) 0.3353(12) 0.2448(6) 0.079(4) Uani 1 1 d . . . . .
H30N H 0.1218 0.3051 0.2031 0.095 Uiso 1 1 calc R . . . .
H30O H 0.1351 0.4090 0.2386 0.095 Uiso 1 1 calc R . . . .
C308 C 0.1499(3) 0.2673(11) 0.2737(6) 0.086(4) Uani 1 1 d . . . . .
H30P H 0.1684 0.2657 0.2472 0.128 Uiso 1 1 calc R . . . .
H30Q H 0.1554 0.2974 0.3146 0.128 Uiso 1 1 calc R . . . .
H30R H 0.1419 0.1931 0.2789 0.128 Uiso 1 1 calc R . . . .
C309 C 0.0210(3) 0.2735(10) 0.2753(6) 0.080(4) Uani 1 1 d . . . . .
H30S H 0.0198 0.2643 0.2296 0.096 Uiso 1 1 calc R . . . .
H30T H 0.0373 0.2232 0.2906 0.096 Uiso 1 1 calc R . . . .
C310 C -0.0099(3) 0.2376(9) 0.3032(5) 0.059(3) Uani 1 1 d . . . . .
H31A H -0.0263 0.2895 0.2905 0.071 Uiso 1 1 calc R . . . .
H31B H -0.0084 0.2394 0.3492 0.071 Uiso 1 1 calc R . . . .
C311 C -0.0190(3) 0.1215(10) 0.2821(7) 0.088(4) Uani 1 1 d . . . . .
H31C H -0.0243 0.1251 0.2373 0.106 Uiso 1 1 calc R . . . .
H31D H -0.0004 0.0748 0.2859 0.106 Uiso 1 1 calc R . . . .
C312 C -0.0432(4) 0.0691(14) 0.3124(7) 0.111(6) Uani 1 1 d . . . . .
H31E H -0.0463 -0.0032 0.2941 0.166 Uiso 1 1 calc R . . . .
H31F H -0.0382 0.0615 0.3567 0.166 Uiso 1 1 calc R . . . .
H31G H -0.0622 0.1121 0.3078 0.166 Uiso 1 1 calc R . . . .
Ge2 Ge 0.28616(2) 0.40730(7) 0.48929(4) 0.0314(2) Uani 1 1 d . . . . .
Co4 Co 0.26380(3) 0.47412(10) 0.39201(6) 0.0351(3) Uani 1 1 d . . . . .
Co5 Co 0.33726(3) 0.48184(9) 0.51377(6) 0.0325(3) Uani 1 1 d . . . . .
Co6 Co 0.28418(3) 0.20934(9) 0.49840(7) 0.0418(3) Uani 1 1 d . . . . .
Cl2 Cl 0.25443(6) 0.4720(2) 0.56532(11) 0.0472(6) Uani 1 1 d . . . . .
P4 P 0.24816(7) 0.5219(2) 0.29757(13) 0.0486(7) Uani 1 1 d . . . . .
P5 P 0.38588(6) 0.5353(2) 0.52785(11) 0.0355(6) Uani 1 1 d . . . . .
P6 P 0.28524(7) 0.0289(2) 0.49477(19) 0.0662(9) Uani 1 1 d . . . . .
O42 O 0.21628(17) 0.3052(6) 0.3969(4) 0.062(2) Uani 1 1 d . . . . .
O44 O 0.24651(18) 0.6800(6) 0.4489(4) 0.062(2) Uani 1 1 d . . . . .
O46 O 0.32580(16) 0.4540(6) 0.3393(3) 0.0506(19) Uani 1 1 d . . . . .
O52 O 0.31979(16) 0.6908(5) 0.4592(3) 0.0549(19) Uani 1 1 d . . . . .
O54 O 0.32386(16) 0.4628(7) 0.6471(3) 0.058(2) Uani 1 1 d . . . . .
O56 O 0.36176(15) 0.3071(5) 0.4362(3) 0.0492(18) Uani 1 1 d . . . . .
O62 O 0.3272(2) 0.2138(6) 0.6037(4) 0.074(3) Uani 1 1 d . . . . .
O64 O 0.21888(18) 0.2198(7) 0.5339(4) 0.071(2) Uani 1 1 d . . . . .
O66 O 0.30403(17) 0.2055(6) 0.3693(4) 0.055(2) Uani 1 1 d . . . . .
C41 C 0.2351(2) 0.3703(8) 0.3969(4) 0.043(2) Uani 1 1 d . . . . .
C43 C 0.2535(2) 0.5996(9) 0.4280(4) 0.040(2) Uani 1 1 d . . . . .
C45 C 0.3015(2) 0.4595(8) 0.3619(4) 0.040(2) Uani 1 1 d . . . . .
C51 C 0.3256(2) 0.6065(7) 0.4818(4) 0.038(2) Uani 1 1 d . . . . .
C53 C 0.3290(2) 0.4667(8) 0.5941(4) 0.039(2) Uani 1 1 d . . . . .
C55 C 0.3513(2) 0.3742(8) 0.4663(4) 0.036(2) Uani 1 1 d . . . . .
C61 C 0.3098(3) 0.2136(8) 0.5618(6) 0.053(3) Uani 1 1 d . . . . .
C63 C 0.2445(3) 0.2167(8) 0.5192(5) 0.048(3) Uani 1 1 d . . . . .
C65 C 0.2964(2) 0.2116(8) 0.4196(6) 0.046(3) Uani 1 1 d . . . . .
C401 C 0.2132(2) 0.6021(10) 0.2934(5) 0.062(3) Uani 1 1 d . . . . .
H40A H 0.2175 0.6746 0.3117 0.074 Uiso 1 1 calc R . . . .
H40B H 0.2081 0.6135 0.2489 0.074 Uiso 1 1 calc R . . . .
C402 C 0.1851(2) 0.5554(10) 0.3253(5) 0.065(3) Uani 1 1 d . . . . .
H40C H 0.1894 0.5499 0.3705 0.078 Uiso 1 1 calc R . . . .
H40D H 0.1815 0.4807 0.3095 0.078 Uiso 1 1 calc R . . . .
C403 C 0.1556(3) 0.6220(11) 0.3162(6) 0.079(4) Uani 1 1 d . . . . .
H40E H 0.1527 0.6349 0.2710 0.095 Uiso 1 1 calc R . . . .
H40F H 0.1378 0.5784 0.3310 0.095 Uiso 1 1 calc R . . . .
C404 C 0.1553(3) 0.7306(12) 0.3492(7) 0.094(5) Uani 1 1 d . . . . .
H40G H 0.1356 0.7678 0.3409 0.142 Uiso 1 1 calc R . . . .
H40H H 0.1576 0.7189 0.3941 0.142 Uiso 1 1 calc R . . . .
H40I H 0.1725 0.7755 0.3340 0.142 Uiso 1 1 calc R . . . .
C405 C 0.2761(3) 0.6004(11) 0.2537(5) 0.069(4) Uani 1 1 d . . . . .
H40J H 0.2940 0.5530 0.2439 0.083 Uiso 1 1 calc R . . . .
H40K H 0.2666 0.6227 0.2138 0.083 Uiso 1 1 calc R . . . .
C406 C 0.2880(3) 0.7025(10) 0.2872(6) 0.076(4) Uani 1 1 d . . . . .
H40L H 0.2703 0.7528 0.2935 0.091 Uiso 1 1 calc R . . . .
H40M H 0.2957 0.6810 0.3288 0.091 Uiso 1 1 calc R . . . .
C407 C 0.3133(4) 0.7630(13) 0.2539(6) 0.101(5) Uani 1 1 d . . . . .
H40N H 0.3052 0.7919 0.2140 0.122 Uiso 1 1 calc R . . . .
H40O H 0.3305 0.7123 0.2444 0.122 Uiso 1 1 calc R . . . .
C408 C 0.3253(5) 0.8562(15) 0.2933(9) 0.178(10) Uani 1 1 d . . . . .
H40P H 0.3417 0.8945 0.2708 0.268 Uiso 1 1 calc R . . . .
H40Q H 0.3083 0.9070 0.3022 0.268 Uiso 1 1 calc R . . . .
H40R H 0.3335 0.8275 0.3325 0.268 Uiso 1 1 calc R . . . .
C409 C 0.2398(2) 0.4076(10) 0.2444(4) 0.058(3) Uani 1 1 d . . . . .
H40S H 0.2216 0.3674 0.2603 0.069 Uiso 1 1 calc R . . . .
H40T H 0.2343 0.4376 0.2031 0.069 Uiso 1 1 calc R . . . .
C410 C 0.2662(3) 0.3287(10) 0.2364(5) 0.066(3) Uani 1 1 d . . . . .
H41A H 0.2836 0.3670 0.2158 0.079 Uiso 1 1 calc R . . . .
H41B H 0.2734 0.3056 0.2781 0.079 Uiso 1 1 calc R . . . .
C411 C 0.2585(3) 0.2314(12) 0.2001(6) 0.086(4) Uani 1 1 d . . . . .
H41C H 0.2525 0.2539 0.1575 0.103 Uiso 1 1 calc R . . . .
H41D H 0.2404 0.1951 0.2193 0.103 Uiso 1 1 calc R . . . .
C412 C 0.2854(4) 0.1491(12) 0.1960(7) 0.101(5) Uani 1 1 d . . . . .
H41E H 0.2790 0.0859 0.1713 0.152 Uiso 1 1 calc R . . . .
H41F H 0.3033 0.1839 0.1762 0.152 Uiso 1 1 calc R . . . .
H41G H 0.2911 0.1251 0.2380 0.152 Uiso 1 1 calc R . . . .
C501 C 0.3999(2) 0.6321(8) 0.4707(4) 0.042(2) Uani 1 1 d . . . . .
H50A H 0.3890 0.7022 0.4770 0.050 Uiso 1 1 calc R . . . .
H50B H 0.4222 0.6451 0.4785 0.050 Uiso 1 1 calc R . . . .
C502 C 0.3958(2) 0.5975(8) 0.4030(4) 0.038(2) Uani 1 1 d . . . . .
H50C H 0.4083 0.5313 0.3951 0.045 Uiso 1 1 calc R . . . .
H50D H 0.3738 0.5789 0.3956 0.045 Uiso 1 1 calc R . . . .
C503 C 0.4056(3) 0.6863(9) 0.3579(4) 0.055(3) Uani 1 1 d . . . . .
H50E H 0.3926 0.7517 0.3652 0.066 Uiso 1 1 calc R . . . .
H50F H 0.4274 0.7065 0.3665 0.066 Uiso 1 1 calc R . . . .
C504 C 0.4028(3) 0.6536(10) 0.2902(5) 0.084(4) Uani 1 1 d . . . . .
H50G H 0.4094 0.7143 0.2637 0.125 Uiso 1 1 calc R . . . .
H50H H 0.4159 0.5900 0.2822 0.125 Uiso 1 1 calc R . . . .
H50I H 0.3812 0.6353 0.2809 0.125 Uiso 1 1 calc R . . . .
C505 C 0.3949(2) 0.6022(8) 0.6013(4) 0.047(3) Uani 1 1 d . . . . .
H50J H 0.3915 0.5496 0.6356 0.057 Uiso 1 1 calc R . . . .
H50K H 0.4172 0.6218 0.6014 0.057 Uiso 1 1 calc R . . . .
C506 C 0.3760(3) 0.7050(9) 0.6145(5) 0.058(3) Uani 1 1 d . . . . .
H50L H 0.3780 0.7552 0.5787 0.070 Uiso 1 1 calc R . . . .
H50M H 0.3538 0.6845 0.6179 0.070 Uiso 1 1 calc R . . . .
C507 C 0.3853(3) 0.7652(10) 0.6733(5) 0.070(4) Uani 1 1 d . . . . .
H50N H 0.3844 0.7141 0.7089 0.084 Uiso 1 1 calc R . . . .
H50O H 0.4071 0.7899 0.6689 0.084 Uiso 1 1 calc R . . . .
C508 C 0.3652(3) 0.8625(13) 0.6873(7) 0.105(5) Uani 1 1 d . . . . .
H50P H 0.3724 0.8978 0.7256 0.158 Uiso 1 1 calc R . . . .
H50Q H 0.3663 0.9145 0.6527 0.158 Uiso 1 1 calc R . . . .
H50R H 0.3437 0.8386 0.6927 0.158 Uiso 1 1 calc R . . . .
C509 C 0.4149(2) 0.4288(8) 0.5246(5) 0.044(3) Uani 1 1 d . . . . .
H50S H 0.4156 0.3995 0.4816 0.053 Uiso 1 1 calc R . . . .
H50T H 0.4354 0.4613 0.5337 0.053 Uiso 1 1 calc R . . . .
C510 C 0.4093(2) 0.3336(8) 0.5701(5) 0.047(3) Uani 1 1 d . . . . .
H51A H 0.4101 0.3615 0.6133 0.057 Uiso 1 1 calc R . . . .
H51B H 0.3883 0.3037 0.5630 0.057 Uiso 1 1 calc R . . . .
C511 C 0.4325(3) 0.2437(12) 0.5630(8) 0.109(6) Uani 1 1 d . . . . .
H51C H 0.4536 0.2743 0.5674 0.131 Uiso 1 1 calc R . . . .
H51D H 0.4307 0.2121 0.5208 0.131 Uiso 1 1 calc R . . . .
C512 C 0.4280(4) 0.1532(11) 0.6114(7) 0.106(5) Uani 1 1 d . . . . .
H51E H 0.4436 0.0964 0.6051 0.159 Uiso 1 1 calc R . . . .
H51F H 0.4301 0.1838 0.6533 0.159 Uiso 1 1 calc R . . . .
H51G H 0.4073 0.1217 0.6067 0.159 Uiso 1 1 calc R . . . .
C601 C 0.3253(6) -0.031(2) 0.4975(13) 0.065(6) Uani 0.517(9) 1 d D U P A 1
H60A H 0.3335 -0.0221 0.5402 0.078 Uiso 0.517(9) 1 calc R . P A 1
H60B H 0.3238 -0.1098 0.4888 0.078 Uiso 0.517(9) 1 calc R . P A 1
C602 C 0.3489(5) 0.021(2) 0.4509(12) 0.066(6) Uani 0.517(9) 1 d D U P A 1
H60C H 0.3408 0.0105 0.4082 0.080 Uiso 0.517(9) 1 calc R . P A 1
H60D H 0.3498 0.1001 0.4589 0.080 Uiso 0.517(9) 1 calc R . P A 1
C603 C 0.3797(10) -0.021(6) 0.453(2) 0.112(9) Uani 0.517(9) 1 d . U P A 1
H60P H 0.3802 -0.0888 0.4278 0.134 Uiso 0.517(9) 1 calc R . P A 1
H60Q H 0.3843 -0.0416 0.4964 0.134 Uiso 0.517(9) 1 calc R . P A 1
C604 C 0.4059(7) 0.052(3) 0.4301(17) 0.107(10) Uani 0.517(9) 1 d . U P A 1
H60R H 0.4256 0.0130 0.4341 0.161 Uiso 0.517(9) 1 calc R . P A 1
H60S H 0.4024 0.0710 0.3864 0.161 Uiso 0.517(9) 1 calc R . P A 1
H60T H 0.4065 0.1184 0.4553 0.161 Uiso 0.517(9) 1 calc R . P A 1
C605 C 0.3176(7) -0.024(2) 0.4619(16) 0.076(7) Uani 0.483(9) 1 d . U P A 2
H60N H 0.3158 -0.1046 0.4624 0.092 Uiso 0.483(9) 1 calc R . P A 2
H60O H 0.3182 -0.0011 0.4177 0.092 Uiso 0.483(9) 1 calc R . P A 2
C606 C 0.3469(7) 0.006(3) 0.4907(18) 0.085(7) Uani 0.483(9) 1 d . U P A 2
H60L H 0.3451 -0.0217 0.5339 0.102 Uiso 0.483(9) 1 calc R . P A 2
H60M H 0.3460 0.0861 0.4940 0.102 Uiso 0.483(9) 1 calc R . P A 2
C607 C 0.3810(9) -0.019(7) 0.472(2) 0.111(9) Uani 0.483(9) 1 d D U P A 2
H60E H 0.3955 0.0205 0.4998 0.133 Uiso 0.483(9) 1 calc R . P A 2
H60F H 0.3853 -0.0979 0.4751 0.133 Uiso 0.483(9) 1 calc R . P A 2
C608 C 0.3845(10) 0.021(3) 0.4043(16) 0.121(11) Uani 0.483(9) 1 d D U P A 2
H60G H 0.4057 0.0073 0.3901 0.181 Uiso 0.483(9) 1 calc R . P A 2
H60H H 0.3699 -0.0187 0.3776 0.181 Uiso 0.483(9) 1 calc R . P A 2
H60I H 0.3801 0.0991 0.4023 0.181 Uiso 0.483(9) 1 calc R . P A 2
C609 C 0.2758(10) -0.0278(15) 0.5748(14) 0.126(6) Uani 0.517(9) 1 d D U P A 2
H60J H 0.2913 -0.0006 0.6051 0.152 Uiso 0.517(9) 1 calc R . P A 2
H60K H 0.2552 -0.0007 0.5879 0.152 Uiso 0.517(9) 1 calc R . P A 2
C610 C 0.2757(8) -0.1526(15) 0.5762(10) 0.128(6) Uani 0.517(9) 1 d DG U P A 2
H61A H 0.2588 -0.1798 0.5490 0.153 Uiso 0.517(9) 1 calc R . P A 2
H61B H 0.2956 -0.1799 0.5594 0.153 Uiso 0.517(9) 1 calc R . P A 2
C611 C 0.2711(10) -0.1973(19) 0.6421(12) 0.129(6) Uani 0.517(9) 1 d DG U P A 2
H61C H 0.2491 -0.1929 0.6549 0.154 Uiso 0.517(9) 1 calc R . P A 2
H61D H 0.2840 -0.1573 0.6726 0.154 Uiso 0.517(9) 1 calc R . P A 2
C612 C 0.2817(10) -0.316(2) 0.6359(17) 0.154(7) Uani 0.517(9) 1 d D U P A 2
H61E H 0.2796 -0.3530 0.6762 0.231 Uiso 0.517(9) 1 calc R . P A 2
H61F H 0.2688 -0.3535 0.6049 0.231 Uiso 0.517(9) 1 calc R . P A 2
H61G H 0.3033 -0.3182 0.6225 0.231 Uiso 0.517(9) 1 calc R . P A 2
C613 C 0.2625(10) -0.054(3) 0.5454(12) 0.126(6) Uani 0.483(9) 1 d D U P A 1
H61H H 0.2407 -0.0297 0.5442 0.151 Uiso 0.483(9) 1 calc R . P A 1
H61I H 0.2632 -0.1309 0.5310 0.151 Uiso 0.483(9) 1 calc R . P A 1
C614 C 0.2746(8) -0.0478(18) 0.6124(13) 0.128(6) Uani 0.483(9) 1 d DG U P A 1
H61J H 0.2975 -0.0505 0.6119 0.154 Uiso 0.483(9) 1 calc R . P A 1
H61K H 0.2683 0.0227 0.6309 0.154 Uiso 0.483(9) 1 calc R . P A 1
C615 C 0.2623(9) -0.141(2) 0.6528(12) 0.129(6) Uani 0.483(9) 1 d DG U P A 1
H61L H 0.2689 -0.1314 0.6966 0.155 Uiso 0.483(9) 1 calc R . P A 1
H61M H 0.2394 -0.1431 0.6515 0.155 Uiso 0.483(9) 1 calc R . P A 1
C616 C 0.2757(10) -0.2450(18) 0.6259(17) 0.120(7) Uani 0.483(9) 1 d D U P A 1
H61N H 0.2685 -0.3076 0.6503 0.180 Uiso 0.483(9) 1 calc R . P A 1
H61O H 0.2690 -0.2531 0.5826 0.180 Uiso 0.483(9) 1 calc R . P A 1
H61P H 0.2984 -0.2415 0.6275 0.180 Uiso 0.483(9) 1 calc R . P A 1
C617 C 0.2723(5) -0.0368(16) 0.4194(12) 0.061(6) Uani 0.517(9) 1 d D U P A 1
H61Q H 0.2886 -0.0266 0.3876 0.073 Uiso 0.517(9) 1 calc R . P A 1
H61R H 0.2697 -0.1161 0.4261 0.073 Uiso 0.517(9) 1 calc R . P A 1
C618 C 0.2421(3) 0.0102(11) 0.3952(7) 0.091(4) Uani 1 1 d D . . . .
H61U H 0.2356 0.0874 0.3975 0.109 Uiso 0.483(9) 1 calc R . P A 2
H61V H 0.2618 0.0090 0.3713 0.109 Uiso 0.483(9) 1 calc R . P A 2
H61S H 0.2254 -0.0059 0.4253 0.109 Uiso 0.517(9) 1 calc R . P A 1
H61T H 0.2441 0.0904 0.3919 0.109 Uiso 0.517(9) 1 calc R . P A 1
C619 C 0.2336(6) -0.036(2) 0.3327(12) 0.076(9) Uani 0.483(9) 1 d D U P A 1
H61W H 0.2333 -0.1162 0.3356 0.092 Uiso 0.483(9) 1 calc R . P A 1
H61X H 0.2498 -0.0154 0.3024 0.092 Uiso 0.483(9) 1 calc R . P A 1
C620 C 0.2027(10) 0.002(6) 0.308(3) 0.111(13) Uani 0.483(9) 1 d D U P A 1
H62H H 0.1988 -0.0310 0.2674 0.167 Uiso 0.483(9) 1 calc R . P A 1
H62I H 0.1863 -0.0190 0.3371 0.167 Uiso 0.483(9) 1 calc R . P A 1
H62J H 0.2029 0.0819 0.3038 0.167 Uiso 0.483(9) 1 calc R . P A 1
C621 C 0.2500(7) -0.0236(19) 0.4598(11) 0.074(7) Uani 0.483(9) 1 d D U P A 2
H62A H 0.2512 -0.1042 0.4605 0.089 Uiso 0.483(9) 1 calc R . P A 2
H62B H 0.2325 -0.0025 0.4870 0.089 Uiso 0.483(9) 1 calc R . P A 2
C622 C 0.2194(6) -0.0453(19) 0.3575(11) 0.067(7) Uani 0.517(9) 1 d D U P A 2
H62C H 0.2010 -0.0615 0.3836 0.081 Uiso 0.517(9) 1 calc R . P A 2
H62D H 0.2281 -0.1158 0.3435 0.081 Uiso 0.517(9) 1 calc R . P A 2
C623 C 0.2088(10) 0.021(5) 0.299(2) 0.107(12) Uani 0.517(9) 1 d D U P A 2
H62E H 0.1934 -0.0212 0.2760 0.161 Uiso 0.517(9) 1 calc R . P A 2
H62F H 0.1996 0.0901 0.3128 0.161 Uiso 0.517(9) 1 calc R . P A 2
H62G H 0.2267 0.0357 0.2727 0.161 Uiso 0.517(9) 1 calc R . 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 Co1 2.4503(14) . ?
Ge1 Co2 2.4430(13) . ?
Ge1 Co3 2.4455(14) . ?
Ge1 Cl1 2.289(2) . ?
Co1 P1 2.222(3) . ?
Co1 C11 1.785(11) . ?
Co1 C13 1.778(11) . ?
Co1 C15 1.789(11) . ?
Co2 P2 2.217(2) . ?
Co2 C21 1.764(10) . ?
Co2 C23 1.778(11) . ?
Co2 C25 1.763(9) . ?
Co3 P3 2.214(3) . ?
Co3 C31 1.784(9) . ?
Co3 C33 1.772(11) . ?
Co3 C35 1.775(9) . ?
P1 C101 1.828(10) . ?
P1 C105 1.824(10) . ?
P1 C109 1.814(10) . ?
P2 C201 1.812(10) . ?
P2 C205 1.818(9) . ?
P2 C209 1.834(10) . ?
P3 C301 1.806(11) . ?
P3 C305 1.846(12) . ?
P3 C309 1.801(12) . ?
O12 C11 1.147(11) . ?
O14 C13 1.138(11) . ?
O16 C15 1.130(11) . ?
O22 C21 1.151(11) . ?
O24 C23 1.140(11) . ?
O26 C25 1.147(9) . ?
O32 C31 1.129(10) . ?
O34 C33 1.141(11) . ?
O36 C35 1.147(10) . ?
C101 C102 1.537(13) . ?
C102 C103 1.497(14) . ?
C103 C104 1.510(14) . ?
C105 C106 1.539(13) . ?
C106 C107 1.509(13) . ?
C107 C108 1.487(15) . ?
C109 C110 1.532(15) . ?
C110 C111 1.500(13) . ?
C111 C112 1.492(17) . ?
C201 C202 1.521(13) . ?
C202 C203 1.524(13) . ?
C203 C204 1.510(15) . ?
C205 C206 1.537(11) . ?
C206 C207 1.518(12) . ?
C207 C208 1.478(15) . ?
C209 C210 1.509(14) . ?
C210 C211 1.524(15) . ?
C211 C212 1.447(19) . ?
C301 C302 1.493(15) . ?
C302 C303 1.436(14) . ?
C303 C304 1.462(14) . ?
C305 C306 1.463(15) . ?
C306 C307 1.498(14) . ?
C307 C308 1.458(16) . ?
C309 C310 1.529(16) . ?
C310 C311 1.546(15) . ?
C311 C312 1.389(17) . ?
Ge2 Co4 2.4435(15) . ?
Ge2 Co5 2.4459(15) . ?
Ge2 Co6 2.4380(15) . ?
Ge2 Cl2 2.275(3) . ?
Co4 P4 2.217(3) . ?
Co4 C41 1.781(11) . ?
Co4 C43 1.779(11) . ?
Co4 C45 1.759(11) . ?
Co5 P5 2.220(3) . ?
Co5 C51 1.750(10) . ?
Co5 C53 1.770(10) . ?
Co5 C55 1.775(10) . ?
Co6 P6 2.216(3) . ?
Co6 C61 1.755(12) . ?
Co6 C63 1.775(12) . ?
Co6 C65 1.773(12) . ?
P4 C401 1.803(10) . ?
P4 C405 1.809(11) . ?
P4 C409 1.844(11) . ?
P5 C501 1.812(9) . ?
P5 C505 1.821(9) . ?
P5 C509 1.812(10) . ?
P6 C601 1.88(3) . ?
P6 C605 1.70(3) . ?
P6 C609 1.90(3) . ?
P6 C613 1.79(3) . ?
P6 C617 1.89(2) . ?
P6 C621 1.82(3) . ?
O42 C41 1.139(11) . ?
O44 C43 1.125(11) . ?
O46 C45 1.159(11) . ?
O52 C51 1.169(10) . ?
O54 C53 1.163(10) . ?
O56 C55 1.141(10) . ?
O62 C61 1.172(13) . ?
O64 C63 1.150(11) . ?
O66 C65 1.132(12) . ?
C401 C402 1.508(14) . ?
C402 C403 1.525(14) . ?
C403 C404 1.509(17) . ?
C405 C406 1.532(16) . ?
C406 C407 1.503(15) . ?
C407 C408 1.51(2) . ?
C409 C410 1.503(14) . ?
C410 C411 1.465(16) . ?
C411 C412 1.543(17) . ?
C501 C502 1.525(12) . ?
C502 C503 1.519(12) . ?
C503 C504 1.513(14) . ?
C505 C506 1.531(14) . ?
C506 C507 1.517(14) . ?
C507 C508 1.509(17) . ?
C509 C510 1.543(13) . ?
C510 C511 1.499(15) . ?
C511 C512 1.533(17) . ?
C601 C602 1.562(19) . ?
C602 C603 1.43(5) . ?
C603 C604 1.52(6) . ?
C605 C606 1.45(4) . ?
C606 C607 1.55(5) . ?
C607 C608 1.54(2) . ?
C609 C610 1.5311 . ?
C610 C611 1.5307 . ?
C611 C612 1.53(2) . ?
C613 C614 1.5318 . ?
C614 C615 1.5310 . ?
C615 C616 1.52(2) . ?
C617 C618 1.516(19) . ?
C618 C619 1.50(2) . ?
C618 C621 1.49(2) . ?
C618 C622 1.444(19) . ?
C619 C620 1.51(3) . ?
C622 C623 1.56(2) . ?

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
Co2 Ge1 Co1 113.87(5) . . ?
Co2 Ge1 Co3 113.01(5) . . ?
Co3 Ge1 Co1 114.46(5) . . ?
Cl1 Ge1 Co1 104.74(7) . . ?
Cl1 Ge1 Co2 104.82(7) . . ?
Cl1 Ge1 Co3 104.60(7) . . ?
P1 Co1 Ge1 174.48(9) . . ?
C11 Co1 Ge1 89.9(3) . . ?
C11 Co1 P1 94.2(3) . . ?
C11 Co1 C15 116.4(4) . . ?
C13 Co1 Ge1 85.0(3) . . ?
C13 Co1 P1 89.7(3) . . ?
C13 Co1 C11 120.1(4) . . ?
C13 Co1 C15 123.1(4) . . ?
C15 Co1 Ge1 88.4(3) . . ?
C15 Co1 P1 93.0(3) . . ?
P2 Co2 Ge1 173.80(8) . . ?
C21 Co2 Ge1 90.1(3) . . ?
C21 Co2 P2 93.5(3) . . ?
C21 Co2 C23 115.1(5) . . ?
C23 Co2 Ge1 90.2(3) . . ?
C23 Co2 P2 92.9(3) . . ?
C25 Co2 Ge1 84.4(3) . . ?
C25 Co2 P2 89.5(3) . . ?
C25 Co2 C21 121.7(5) . . ?
C25 Co2 C23 122.8(5) . . ?
P3 Co3 Ge1 175.72(9) . . ?
C31 Co3 Ge1 85.8(3) . . ?
C31 Co3 P3 89.9(3) . . ?
C33 Co3 Ge1 89.4(3) . . ?
C33 Co3 P3 92.8(3) . . ?
C33 Co3 C31 121.5(4) . . ?
C33 Co3 C35 116.8(4) . . ?
C35 Co3 Ge1 88.6(3) . . ?
C35 Co3 P3 93.7(3) . . ?
C35 Co3 C31 121.3(4) . . ?
C101 P1 Co1 114.1(3) . . ?
C105 P1 Co1 117.3(3) . . ?
C105 P1 C101 103.0(5) . . ?
C109 P1 Co1 115.4(4) . . ?
C109 P1 C101 103.6(5) . . ?
C109 P1 C105 101.5(5) . . ?
C201 P2 Co2 113.4(3) . . ?
C201 P2 C205 105.5(5) . . ?
C201 P2 C209 103.9(5) . . ?
C205 P2 Co2 115.8(3) . . ?
C205 P2 C209 102.1(5) . . ?
C209 P2 Co2 114.8(3) . . ?
C301 P3 Co3 116.4(4) . . ?
C301 P3 C305 102.1(6) . . ?
C305 P3 Co3 113.4(4) . . ?
C309 P3 Co3 118.0(4) . . ?
C309 P3 C301 104.0(6) . . ?
C309 P3 C305 100.6(6) . . ?
O12 C11 Co1 177.6(8) . . ?
O14 C13 Co1 176.0(8) . . ?
O16 C15 Co1 176.1(9) . . ?
O22 C21 Co2 177.2(9) . . ?
O24 C23 Co2 175.7(9) . . ?
O26 C25 Co2 177.0(8) . . ?
O32 C31 Co3 176.6(8) . . ?
O34 C33 Co3 177.4(8) . . ?
O36 C35 Co3 177.3(8) . . ?
C102 C101 P1 113.5(7) . . ?
C103 C102 C101 113.5(9) . . ?
C102 C103 C104 113.7(10) . . ?
C106 C105 P1 115.3(7) . . ?
C107 C106 C105 114.3(8) . . ?
C108 C107 C106 114.3(9) . . ?
C110 C109 P1 116.5(7) . . ?
C111 C110 C109 113.5(9) . . ?
C112 C111 C110 113.2(10) . . ?
C202 C201 P2 113.9(7) . . ?
C201 C202 C203 112.9(8) . . ?
C204 C203 C202 112.9(10) . . ?
C206 C205 P2 116.0(6) . . ?
C207 C206 C205 115.3(8) . . ?
C208 C207 C206 112.8(10) . . ?
C210 C209 P2 115.6(7) . . ?
C209 C210 C211 109.1(10) . . ?
C212 C211 C210 111.0(13) . . ?
C302 C301 P3 119.0(8) . . ?
C303 C302 C301 120.1(10) . . ?
C302 C303 C304 121.5(11) . . ?
C306 C305 P3 117.4(9) . . ?
C305 C306 C307 119.1(10) . . ?
C308 C307 C306 116.8(11) . . ?
C310 C309 P3 117.2(9) . . ?
C309 C310 C311 111.9(10) . . ?
C312 C311 C310 118.7(13) . . ?
Co4 Ge2 Co5 114.52(5) . . ?
Co6 Ge2 Co4 112.89(6) . . ?
Co6 Ge2 Co5 112.76(5) . . ?
Cl2 Ge2 Co4 105.01(8) . . ?
Cl2 Ge2 Co5 104.98(8) . . ?
Cl2 Ge2 Co6 105.60(8) . . ?
P4 Co4 Ge2 172.57(10) . . ?
C41 Co4 Ge2 89.2(3) . . ?
C41 Co4 P4 91.7(3) . . ?
C43 Co4 Ge2 91.0(3) . . ?
C43 Co4 P4 95.3(3) . . ?
C43 Co4 C41 114.7(5) . . ?
C45 Co4 Ge2 85.2(3) . . ?
C45 Co4 P4 88.4(3) . . ?
C45 Co4 C41 126.3(4) . . ?
C45 Co4 C43 118.7(4) . . ?
P5 Co5 Ge2 173.17(9) . . ?
C51 Co5 Ge2 89.0(3) . . ?
C51 Co5 P5 93.8(3) . . ?
C51 Co5 C53 114.6(4) . . ?
C51 Co5 C55 121.5(4) . . ?
C53 Co5 Ge2 89.4(3) . . ?
C53 Co5 P5 95.0(3) . . ?
C53 Co5 C55 123.4(4) . . ?
C55 Co5 Ge2 84.7(3) . . ?
C55 Co5 P5 88.6(3) . . ?
P6 Co6 Ge2 172.64(12) . . ?
C61 Co6 Ge2 90.6(3) . . ?
C61 Co6 P6 92.5(3) . . ?
C61 Co6 C63 114.4(5) . . ?
C61 Co6 C65 123.6(5) . . ?
C63 Co6 Ge2 90.2(3) . . ?
C63 Co6 P6 94.6(3) . . ?
C65 Co6 Ge2 84.1(3) . . ?
C65 Co6 P6 88.6(3) . . ?
C65 Co6 C63 121.8(5) . . ?
C401 P4 Co4 116.4(4) . . ?
C401 P4 C405 104.0(5) . . ?
C401 P4 C409 102.7(5) . . ?
C405 P4 Co4 114.5(4) . . ?
C405 P4 C409 102.3(6) . . ?
C409 P4 Co4 115.2(4) . . ?
C501 P5 Co5 114.7(3) . . ?
C501 P5 C505 102.7(4) . . ?
C501 P5 C509 102.4(5) . . ?
C505 P5 Co5 117.0(3) . . ?
C509 P5 Co5 115.8(3) . . ?
C509 P5 C505 102.1(5) . . ?
C601 P6 Co6 114.0(8) . . ?
C601 P6 C617 97.6(11) . . ?
C605 P6 Co6 114.5(11) . . ?
C605 P6 C609 114.5(17) . . ?
C605 P6 C621 112.5(14) . . ?
C609 P6 Co6 109.2(8) . . ?
C613 P6 Co6 122.5(12) . . ?
C613 P6 C601 105.4(15) . . ?
C613 P6 C617 96.7(12) . . ?
C617 P6 Co6 116.7(7) . . ?
C621 P6 Co6 110.6(8) . . ?
C621 P6 C609 93.7(15) . . ?
O42 C41 Co4 176.5(9) . . ?
O44 C43 Co4 177.7(10) . . ?
O46 C45 Co4 176.1(9) . . ?
O52 C51 Co5 175.6(8) . . ?
O54 C53 Co5 176.3(9) . . ?
O56 C55 Co5 176.7(8) . . ?
O62 C61 Co6 178.2(11) . . ?
O64 C63 Co6 178.3(9) . . ?
O66 C65 Co6 175.3(10) . . ?
C402 C401 P4 116.4(8) . . ?
C401 C402 C403 114.2(10) . . ?
C404 C403 C402 114.8(11) . . ?
C406 C405 P4 114.4(8) . . ?
C407 C406 C405 115.1(11) . . ?
C406 C407 C408 110.8(12) . . ?
C410 C409 P4 114.3(7) . . ?
C411 C410 C409 114.4(10) . . ?
C410 C411 C412 113.1(12) . . ?
C502 C501 P5 115.1(6) . . ?
C503 C502 C501 112.1(8) . . ?
C504 C503 C502 113.6(9) . . ?
C506 C505 P5 114.6(7) . . ?
C507 C506 C505 114.3(10) . . ?
C508 C507 C506 113.4(11) . . ?
C510 C509 P5 114.4(6) . . ?
C511 C510 C509 112.8(9) . . ?
C510 C511 C512 112.2(11) . . ?
C602 C601 P6 115.1(18) . . ?
C603 C602 C601 117(3) . . ?
C602 C603 C604 118(4) . . ?
C606 C605 P6 116(2) . . ?
C605 C606 C607 132(4) . . ?
C608 C607 C606 106(3) . . ?
C610 C609 P6 112.6(16) . . ?
C611 C610 C609 112.1 . . ?
C610 C611 C612 102.8(16) . . ?
C614 C613 P6 111(2) . . ?
C615 C614 C613 112.1 . . ?
C616 C615 C614 106.2(17) . . ?
C618 C617 P6 112.6(13) . . ?
C619 C618 C617 112.1(15) . . ?
C622 C618 C621 123.1(18) . . ?
C618 C619 C620 115(4) . . ?
C618 C621 P6 118.5(17) . . ?
C618 C622 C623 114(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1001
_database_code_depnum_ccdc_archive 'CCDC 2083203'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-07-15 downloaded from the CCDC.
;
_audit_creation_date             2020-08-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H63 Cl Co3 Ge O9 P3, C4 H10 O'
_chemical_formula_sum            'C40 H73 Cl Co3 Ge O10 P3'
_chemical_formula_weight         1091.72
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C80 H146 Cl2 Co6 Ge2 O20 P6'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.6499(2)
_cell_length_b                   14.5313(2)
_cell_length_c                   13.9137(2)
_cell_angle_alpha                90
_cell_angle_beta                 106.851(2)
_cell_angle_gamma                90
_cell_volume                     2641.29(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    46230
_cell_measurement_temperature    100.00(14)
_cell_measurement_theta_max      45.4210
_cell_measurement_theta_min      2.2930
_shelx_estimated_absorpt_T_max   0.967
_shelx_estimated_absorpt_T_min   0.811
_exptl_absorpt_coefficient_mu    1.677
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.787
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.79a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1136
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 1 -2 0.0293
-1 0 2 0.0507
-1 0 0 0.0077
0 -1 0 0.0488
0 1 0 0.0488
-1 -1 2 0.0416
1 0 -2 0.0441
1 0 0 0.0107

_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.9982 0.9978 -1.9944 0.0074 0.0639 -0.1209
-1.0011 0.0009 1.9952 -0.0028 0.0068 0.1041
-0.9974 -0.0005 -0.0005 -0.0384 -0.0357 0.0135
0.0003 -0.9982 -0.0003 0.0337 -0.0350 0.0032
-0.0003 0.9982 0.0003 -0.0337 0.0350 -0.0032
-1.0008 -0.9973 1.9949 0.0309 -0.0282 0.1073
1.0011 -0.0009 -1.9952 0.0028 -0.0068 -0.1041
0.9974 0.0005 0.0005 0.0384 0.0357 -0.0135

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0873
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            176659
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         35.500
_diffrn_reflns_theta_min         2.074
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(14)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -60.00 -35.00   0.50   31.08    --  -45.08 126.00 172.00   50
  2  ω     16.00  42.00   0.50   31.08    --   46.33-126.00  95.00   52
  3  ω    -24.00   2.00   0.50   31.08    --  -45.08  57.00 -90.00   52
  4  ω    -94.00 -39.00   0.50   31.08    --  -45.08 131.00  96.82  110
  5  ω    -46.00 -10.00   0.50   31.08    --  -45.08  77.00 -30.00   72
  6  ω    -46.00  18.00   0.50   31.08    --  -45.08  19.00 -60.00  128
  7  ω    -88.00 -38.00   0.50   31.08    --  -45.08 118.00  22.73  100
  8  ω    -25.00  34.00   0.50   31.08    --  -45.08  19.00  30.00  118
  9  ω    -98.00 -62.00   0.50   31.08    --  -45.08 137.00 106.81   72
 10  ω   -106.00 -37.00   0.50   31.08    --  -45.08 -37.00 -30.00  138
 11  ω   -104.00 -39.00   0.50   31.08    --  -45.08 -37.00 120.00  130
 12  ω    -94.00 -69.00   0.50   31.08    --  -45.08 131.00  45.15   50
 13  ω    -51.00 -25.00   0.50   31.08    --  -45.08  37.00 -30.00   52
 14  ω      5.00  30.00   0.50   31.08    --  -45.08  37.00 -30.00   50
 15  ω      0.00  34.00   0.50   31.08    --  -45.08  19.00-120.00   68
 16  ω    -57.00 -31.00   0.50   31.08    --  -45.08  57.00 -90.00   52
 17  ω    -31.00   5.00   0.50   31.08    --   46.33 -19.00 -90.00   72
 18  ω    -31.00   5.00   0.50   31.08    --   46.33 -19.00 -30.00   72
 19  ω    -10.00  31.00   0.50   31.08    --    0.62  57.00 120.00   82
 20  ω   -118.00 -85.00   0.50   31.08    --  -45.08 -52.00 -77.09   66
 21  ω    -56.00 -31.00   0.50   31.08    --  -45.08 -60.00-145.68   50
 22  ω    -56.00 -31.00   0.50   31.08    --  -45.08 -60.00  49.95   50
 23  ω   -100.00 -65.00   0.50   31.08    --  -45.08 -51.00 -34.27   70
 24  ω    -61.00 -35.00   0.50   31.08    --  -45.08 -51.00 -34.27   52
 25  ω    -74.00 -34.00   0.50   31.08    --  -45.08 -52.00 -77.09   80
 26  ω    -58.00 -32.00   0.50   31.08    --  -45.08 -58.00-119.60   52
 27  ω    -59.00 -33.00   0.50   31.08    --  -45.08 -55.00-111.25   52
 28  ω    -59.00 -33.00   0.50   31.08    --  -45.08 -55.00  -5.89   52
 29  ω   -116.00 -78.00   0.50   31.08    --  -45.08 -52.00 108.34   76
 30  ω    -65.00 -34.00   0.50   31.08    --  -45.08 -52.00 108.34   62
 31  ω    -57.00 -32.00   0.50   31.08    --  -45.08 -58.00  70.75   50
 32  ω    -60.00 -34.00   0.50   31.08    --  -45.08 -54.00  17.19   52
 33  ω    -58.00 -32.00   0.50   31.08    --  -45.08 -59.00-169.42   52
 34  ω    -59.00 -33.00   0.50   31.08    --  -45.08 -56.00 -41.59   52
 35  ω    -95.00 -43.00   0.50   31.08    --  -45.08 133.00 -91.22  104
 36  ω    -53.00  32.00   0.50   31.08    --  -45.08  37.00 150.00  170
 37  ω    -95.00 -42.00   0.50   31.08    --  -45.08 133.00-129.77  106
 38  ω    -50.00  30.00   0.50   31.08    --  -45.08  37.00-150.00  160
 39  ω   -113.00 -35.00   0.50   31.08    --  -45.08 -47.00  67.84  156
 40  ω    -98.00 -40.00   0.50   31.08    --  -45.08 -50.00 156.94  116
 41  ω    -93.00 -40.00   0.50   31.08    --  -45.08 130.00 -16.24  106
 42  ω    -33.00  34.00   0.50   31.08    --  -45.08  19.00  60.00  134
 43  ω   -117.00 -34.00   0.50   31.08    --  -45.08 -51.00-142.88  166
 44  ω    -60.00 -33.00   0.50   31.08    --  -45.08 -56.00 144.96   54
 45  ω    -48.00  21.00   0.50   31.08    --  -45.08  19.00 150.00  138
 46  ω    -26.00  26.00   0.50   31.08    --   46.33 -57.00-150.00  104
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0384843000
_diffrn_orient_matrix_UB_12      -0.0337875000
_diffrn_orient_matrix_UB_13      0.0179308000
_diffrn_orient_matrix_UB_21      0.0358078000
_diffrn_orient_matrix_UB_22      0.0350816000
_diffrn_orient_matrix_UB_23      0.0213671000
_diffrn_orient_matrix_UB_31      -0.0135980000
_diffrn_orient_matrix_UB_32      -0.0031977000
_diffrn_orient_matrix_UB_33      0.0453733000
_diffrn_oxdiff_digest_frames     
;
01069a217aef9a6202b272f35f2eb8d26203902b85f
;
_diffrn_oxdiff_digest_hkl        
;
018c0ba13d74e666bded72d623499990c8612c
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.939
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                21199
_reflns_number_total             24143
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     45.18
_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 1.171.41.79a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.79a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.79a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.553
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 
;
 Flack x determined using 9032 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.005(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         24143
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0343
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0149P)²+0.8018P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0645
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C104(H10H,H10I), C105(H10J,H10K), C107(H10O,
 H10P), C108(H10Q,H10R), C201(H20A,H20B), C202(H20C,H20D), C204(H20H,H20I),
 C205(H20J,H20K), C207(H20O,H20P), C208(H20Q,H20R), C301(H30A,H30B), C302(H30C,
 H30D), C304(H30H,H30I), C305(H30J,H30K), C307(H30O,H30P), C308(H30Q,H30R),
 C402(H40D,H40E), C404(H40F,H40G)
2.b Idealised Me refined as rotating group:
 C103(H10E,H10F,H10G), C106(H10L,H10M,H10N), C109(H10S,H10T,H10U), C203(H20E,
 H20F,H20G), C206(H20L,H20M,H20N), C209(H20S,H20T,H20U), C303(H30E,H30F,H30G),
 C306(H30L,H30M,H30N), C309(H30S,H30T,H30U), C401(H40A,H40B,H40C), C405(H40H,
 H40I,H40J)
;
_atom_sites_solution_hydrogens   geom
_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
Ge1 Ge 0.30165(2) 0.47167(2) 0.66321(2) 0.01048(4) Uani 1 1 d . . . . .
Co1 Co 0.13839(2) 0.39482(2) 0.64238(2) 0.01339(6) Uani 1 1 d . . . . .
Co2 Co 0.42041(2) 0.38055(2) 0.60044(2) 0.01231(5) Uani 1 1 d . . . . .
Co3 Co 0.37444(2) 0.54163(2) 0.82723(2) 0.01159(5) Uani 1 1 d . . . . .
Cl1 Cl 0.26262(5) 0.59749(4) 0.56019(4) 0.01865(10) Uani 1 1 d . . . . .
P1 P 0.00031(5) 0.31327(4) 0.63694(5) 0.01773(11) Uani 1 1 d . . . . .
P2 P 0.50943(4) 0.28984(4) 0.52863(4) 0.01291(10) Uani 1 1 d . . . . .
P3 P 0.43604(5) 0.60390(4) 0.97757(4) 0.01429(10) Uani 1 1 d . . . . .
O15 O 0.02658(16) 0.56918(15) 0.61209(18) 0.0318(5) Uani 1 1 d . . . . .
O16 O 0.23413(17) 0.32125(15) 0.84192(15) 0.0280(4) Uani 1 1 d . . . . .
O18 O 0.15002(17) 0.3136(2) 0.45414(17) 0.0424(6) Uani 1 1 d . . . . .
O22 O 0.35934(16) 0.22111(14) 0.69692(16) 0.0271(4) Uani 1 1 d . . . . .
O24 O 0.32073(18) 0.45815(16) 0.40319(14) 0.0331(5) Uani 1 1 d . . . . .
O26 O 0.59932(16) 0.4722(2) 0.73200(17) 0.0377(5) Uani 1 1 d . . . . .
O32 O 0.16770(16) 0.57746(17) 0.83659(17) 0.0330(5) Uani 1 1 d . . . . .
O34 O 0.48166(18) 0.67602(15) 0.73949(15) 0.0297(4) Uani 1 1 d . . . . .
O36 O 0.47633(16) 0.36611(13) 0.88994(14) 0.0240(4) Uani 1 1 d . . . . .
C14 C 0.07268(19) 0.50254(18) 0.62469(19) 0.0196(4) Uani 1 1 d . . . . .
C17 C 0.1495(2) 0.3457(2) 0.5291(2) 0.0239(5) Uani 1 1 d . . . . .
C018 C 0.19883(19) 0.35172(17) 0.76373(19) 0.0181(4) Uani 1 1 d . . . . .
C21 C 0.38043(19) 0.28507(17) 0.65871(18) 0.0175(4) Uani 1 1 d . . . . .
C23 C 0.3564(2) 0.42895(18) 0.48168(18) 0.0203(5) Uani 1 1 d . . . . .
C25 C 0.5280(2) 0.43880(19) 0.6794(2) 0.0213(5) Uani 1 1 d . . . . .
C31 C 0.24736(19) 0.56246(17) 0.82954(18) 0.0190(4) Uani 1 1 d . . . . .
C33 C 0.4375(2) 0.62275(17) 0.77060(17) 0.0185(4) Uani 1 1 d . . . . .
C35 C 0.43502(19) 0.43466(17) 0.86418(17) 0.0164(4) Uani 1 1 d . . . . .
C101 C -0.09056(19) 0.3691(2) 0.6929(2) 0.0230(5) Uani 1 1 d . . . . .
H10A H -0.1182 0.4248 0.6532 0.028 Uiso 1 1 calc R . . . .
H10B H -0.1485 0.3267 0.6879 0.028 Uiso 1 1 calc R . . . .
C102 C -0.0454(2) 0.3970(2) 0.8025(2) 0.0276(5) Uani 1 1 d . . . . .
H10C H 0.0094 0.4430 0.8075 0.033 Uiso 1 1 calc R . . . .
H10D H -0.0141 0.3424 0.8421 0.033 Uiso 1 1 calc R . . . .
C103 C -0.1259(3) 0.4375(3) 0.8466(3) 0.0356(7) Uani 1 1 d . . . . .
H10E H -0.1576 0.4911 0.8071 0.053 Uiso 1 1 calc GR . . . .
H10F H -0.0934 0.4562 0.9163 0.053 Uiso 1 1 calc GR . . . .
H10G H -0.1784 0.3910 0.8450 0.053 Uiso 1 1 calc GR . . . .
C104 C -0.0769(2) 0.2770(2) 0.5134(2) 0.0256(5) Uani 1 1 d . . . . .
H10H H -0.0373 0.2308 0.4878 0.031 Uiso 1 1 calc R . . . .
H10I H -0.1386 0.2456 0.5211 0.031 Uiso 1 1 calc R . . . .
C105 C -0.1119(2) 0.3516(2) 0.4338(2) 0.0257(5) Uani 1 1 d . . . . .
H10J H -0.0519 0.3875 0.4288 0.031 Uiso 1 1 calc R . . . .
H10K H -0.1592 0.3942 0.4536 0.031 Uiso 1 1 calc R . . . .
C106 C -0.1660(3) 0.3091(2) 0.3314(2) 0.0315(6) Uani 1 1 d . . . . .
H10L H -0.1862 0.3579 0.2810 0.047 Uiso 1 1 calc GR . . . .
H10M H -0.2271 0.2758 0.3357 0.047 Uiso 1 1 calc GR . . . .
H10N H -0.1195 0.2663 0.3122 0.047 Uiso 1 1 calc GR . . . .
C107 C 0.0252(2) 0.20260(19) 0.7029(2) 0.0246(5) Uani 1 1 d . . . . .
H10O H 0.0529 0.2145 0.7759 0.030 Uiso 1 1 calc R . . . .
H10P H -0.0405 0.1695 0.6919 0.030 Uiso 1 1 calc R . . . .
C108 C 0.0997(3) 0.1406(2) 0.6702(2) 0.0300(6) Uani 1 1 d . . . . .
H10Q H 0.0689 0.1227 0.5992 0.036 Uiso 1 1 calc R . . . .
H10R H 0.1632 0.1754 0.6746 0.036 Uiso 1 1 calc R . . . .
C109 C 0.1265(4) 0.0546(3) 0.7338(3) 0.0562(11) Uani 1 1 d . . . . .
H10S H 0.1759 0.0179 0.7111 0.084 Uiso 1 1 calc GR . . . .
H10T H 0.0644 0.0182 0.7271 0.084 Uiso 1 1 calc GR . . . .
H10U H 0.1566 0.0718 0.8043 0.084 Uiso 1 1 calc GR . . . .
C201 C 0.44055(19) 0.18603(16) 0.47221(18) 0.0173(4) Uani 1 1 d . . . . .
H20A H 0.4856 0.1490 0.4429 0.021 Uiso 1 1 calc R . . . .
H20B H 0.4253 0.1488 0.5257 0.021 Uiso 1 1 calc R . . . .
C202 C 0.3406(2) 0.20541(19) 0.3907(2) 0.0222(5) Uani 1 1 d . . . . .
H20C H 0.3083 0.2609 0.4095 0.027 Uiso 1 1 calc R . . . .
H20D H 0.3561 0.2188 0.3269 0.027 Uiso 1 1 calc R . . . .
C203 C 0.2653(2) 0.1260(2) 0.3742(3) 0.0389(8) Uani 1 1 d . . . . .
H20E H 0.2032 0.1419 0.3206 0.058 Uiso 1 1 calc GR . . . .
H20F H 0.2475 0.1138 0.4364 0.058 Uiso 1 1 calc GR . . . .
H20G H 0.2965 0.0709 0.3549 0.058 Uiso 1 1 calc GR . . . .
C204 C 0.54900(19) 0.34220(17) 0.42659(17) 0.0172(4) Uani 1 1 d . . . . .
H20H H 0.5913 0.2974 0.4027 0.021 Uiso 1 1 calc R . . . .
H20I H 0.4872 0.3550 0.3701 0.021 Uiso 1 1 calc R . . . .
C205 C 0.6096(2) 0.43119(18) 0.4551(2) 0.0221(5) Uani 1 1 d . . . . .
H20J H 0.5715 0.4736 0.4870 0.027 Uiso 1 1 calc R . . . .
H20K H 0.6761 0.4173 0.5049 0.027 Uiso 1 1 calc R . . . .
C206 C 0.6288(2) 0.4785(2) 0.3648(2) 0.0278(5) Uani 1 1 d . . . . .
H20L H 0.5636 0.5001 0.3195 0.042 Uiso 1 1 calc GR . . . .
H20M H 0.6605 0.4349 0.3291 0.042 Uiso 1 1 calc GR . . . .
H20N H 0.6746 0.5311 0.3874 0.042 Uiso 1 1 calc GR . . . .
C207 C 0.63070(18) 0.24678(17) 0.60999(17) 0.0165(4) Uani 1 1 d . . . . .
H20O H 0.6653 0.2118 0.5682 0.020 Uiso 1 1 calc R . . . .
H20P H 0.6746 0.3002 0.6382 0.020 Uiso 1 1 calc R . . . .
C208 C 0.6240(2) 0.1855(2) 0.6967(2) 0.0234(5) Uani 1 1 d . . . . .
H20Q H 0.5909 0.2198 0.7403 0.028 Uiso 1 1 calc R . . . .
H20R H 0.5813 0.1310 0.6699 0.028 Uiso 1 1 calc R . . . .
C209 C 0.7297(2) 0.1542(2) 0.7583(2) 0.0267(5) Uani 1 1 d . . . . .
H20S H 0.7642 0.1235 0.7144 0.040 Uiso 1 1 calc GR . . . .
H20T H 0.7231 0.1111 0.8104 0.040 Uiso 1 1 calc GR . . . .
H20U H 0.7700 0.2077 0.7900 0.040 Uiso 1 1 calc GR . . . .
C301 C 0.5629(2) 0.65571(18) 1.0025(2) 0.0213(5) Uani 1 1 d . . . . .
H30A H 0.5583 0.7097 0.9580 0.026 Uiso 1 1 calc R . . . .
H30B H 0.5850 0.6780 1.0727 0.026 Uiso 1 1 calc R . . . .
C302 C 0.6442(2) 0.5897(2) 0.9865(2) 0.0273(6) Uani 1 1 d . . . . .
H30C H 0.6627 0.5450 1.0426 0.033 Uiso 1 1 calc R . . . .
H30D H 0.6151 0.5548 0.9236 0.033 Uiso 1 1 calc R . . . .
C303 C 0.7399(3) 0.6394(3) 0.9807(3) 0.0460(9) Uani 1 1 d . . . . .
H30E H 0.7229 0.6805 0.9223 0.069 Uiso 1 1 calc GR . . . .
H30F H 0.7909 0.5943 0.9740 0.069 Uiso 1 1 calc GR . . . .
H30G H 0.7679 0.6756 1.0419 0.069 Uiso 1 1 calc GR . . . .
C304 C 0.35877(19) 0.69665(17) 1.00701(18) 0.0176(4) Uani 1 1 d . . . . .
H30H H 0.2937 0.6701 1.0123 0.021 Uiso 1 1 calc R . . . .
H30I H 0.3956 0.7223 1.0736 0.021 Uiso 1 1 calc R . . . .
C305 C 0.3337(2) 0.77537(17) 0.93106(18) 0.0196(4) Uani 1 1 d . . . . .
H30J H 0.3979 0.8064 0.9299 0.024 Uiso 1 1 calc R . . . .
H30K H 0.3010 0.7501 0.8632 0.024 Uiso 1 1 calc R . . . .
C306 C 0.2623(2) 0.8453(2) 0.9567(2) 0.0283(6) Uani 1 1 d . . . . .
H30L H 0.2474 0.8945 0.9063 0.042 Uiso 1 1 calc GR . . . .
H30M H 0.2951 0.8717 1.0231 0.042 Uiso 1 1 calc GR . . . .
H30N H 0.1984 0.8149 0.9573 0.042 Uiso 1 1 calc GR . . . .
C307 C 0.4480(2) 0.52335(18) 1.08175(17) 0.0215(5) Uani 1 1 d . . . . .
H30O H 0.5073 0.4825 1.0867 0.026 Uiso 1 1 calc R . . . .
H30P H 0.4623 0.5587 1.1451 0.026 Uiso 1 1 calc R . . . .
C308 C 0.3529(2) 0.46406(19) 1.07108(18) 0.0236(5) Uani 1 1 d . . . . .
H30Q H 0.3400 0.4264 1.0094 0.028 Uiso 1 1 calc R . . . .
H30R H 0.2929 0.5045 1.0640 0.028 Uiso 1 1 calc R . . . .
C309 C 0.3650(3) 0.4007(2) 1.1614(2) 0.0339(7) Uani 1 1 d . . . . .
H30S H 0.3048 0.3607 1.1496 0.051 Uiso 1 1 calc GR . . . .
H30T H 0.3715 0.4378 1.2217 0.051 Uiso 1 1 calc GR . . . .
H30U H 0.4265 0.3628 1.1709 0.051 Uiso 1 1 calc GR . . . .
O403 O -0.03224(19) 0.8000(2) 0.90847(19) 0.0423(6) Uani 1 1 d . . . . .
C401 C -0.0878(4) 0.9455(4) 0.8344(5) 0.0743(16) Uani 1 1 d . . . . .
H40A H -0.1207 0.9766 0.7706 0.111 Uiso 1 1 calc GR . . . .
H40B H -0.0201 0.9726 0.8649 0.111 Uiso 1 1 calc GR . . . .
H40C H -0.1301 0.9531 0.8800 0.111 Uiso 1 1 calc GR . . . .
C402 C -0.0762(3) 0.8442(3) 0.8154(4) 0.0523(10) Uani 1 1 d . . . . .
H40D H -0.1439 0.8169 0.7817 0.063 Uiso 1 1 calc R . . . .
H40E H -0.0317 0.8359 0.7711 0.063 Uiso 1 1 calc R . . . .
C404 C -0.0180(3) 0.7046(3) 0.8969(3) 0.0437(8) Uani 1 1 d . . . . .
H40F H 0.0256 0.6950 0.8519 0.052 Uiso 1 1 calc R . . . .
H40G H -0.0849 0.6748 0.8661 0.052 Uiso 1 1 calc R . . . .
C405 C 0.0315(3) 0.6627(4) 0.9964(3) 0.0571(11) Uani 1 1 d . . . . .
H40H H 0.0413 0.5967 0.9882 0.086 Uiso 1 1 calc GR . . . .
H40I H -0.0122 0.6717 1.0404 0.086 Uiso 1 1 calc GR . . . .
H40J H 0.0980 0.6920 1.0264 0.086 Uiso 1 1 calc GR . . . .


_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 Co1 2.4336(4) . ?
Ge1 Co2 2.4423(4) . ?
Ge1 Co3 2.4319(4) . ?
Ge1 Cl1 2.2888(6) . ?
Co1 P1 2.2090(7) . ?
Co1 C14 1.785(3) . ?
Co1 C17 1.777(3) . ?
Co1 C018 1.765(3) . ?
Co2 P2 2.2172(6) . ?
Co2 C21 1.771(2) . ?
Co2 C23 1.775(3) . ?
Co2 C25 1.773(3) . ?
Co3 P3 2.2094(6) . ?
Co3 C31 1.770(3) . ?
Co3 C33 1.773(2) . ?
Co3 C35 1.766(2) . ?
P1 C101 1.834(3) . ?
P1 C104 1.815(3) . ?
P1 C107 1.834(3) . ?
P2 C201 1.830(2) . ?
P2 C204 1.825(2) . ?
P2 C207 1.824(2) . ?
P3 C301 1.827(3) . ?
P3 C304 1.830(2) . ?
P3 C307 1.833(2) . ?
O15 C14 1.140(3) . ?
O16 C018 1.144(3) . ?
O18 C17 1.144(3) . ?
O22 C21 1.148(3) . ?
O24 C23 1.141(3) . ?
O26 C25 1.143(3) . ?
O32 C31 1.141(3) . ?
O34 C33 1.141(3) . ?
O36 C35 1.150(3) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.524(4) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C102 C103 1.524(4) . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C104 H10H 0.9900 . ?
C104 H10I 0.9900 . ?
C104 C105 1.524(4) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C105 C106 1.531(4) . ?
C106 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C107 H10O 0.9900 . ?
C107 H10P 0.9900 . ?
C107 C108 1.524(4) . ?
C108 H10Q 0.9900 . ?
C108 H10R 0.9900 . ?
C108 C109 1.513(5) . ?
C109 H10S 0.9800 . ?
C109 H10T 0.9800 . ?
C109 H10U 0.9800 . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.526(4) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C202 C203 1.518(4) . ?
C203 H20E 0.9800 . ?
C203 H20F 0.9800 . ?
C203 H20G 0.9800 . ?
C204 H20H 0.9900 . ?
C204 H20I 0.9900 . ?
C204 C205 1.524(4) . ?
C205 H20J 0.9900 . ?
C205 H20K 0.9900 . ?
C205 C206 1.521(4) . ?
C206 H20L 0.9800 . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C207 H20O 0.9900 . ?
C207 H20P 0.9900 . ?
C207 C208 1.523(3) . ?
C208 H20Q 0.9900 . ?
C208 H20R 0.9900 . ?
C208 C209 1.518(4) . ?
C209 H20S 0.9800 . ?
C209 H20T 0.9800 . ?
C209 H20U 0.9800 . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C301 C302 1.531(4) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C302 C303 1.516(5) . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?
C303 H30G 0.9800 . ?
C304 H30H 0.9900 . ?
C304 H30I 0.9900 . ?
C304 C305 1.527(3) . ?
C305 H30J 0.9900 . ?
C305 H30K 0.9900 . ?
C305 C306 1.520(4) . ?
C306 H30L 0.9800 . ?
C306 H30M 0.9800 . ?
C306 H30N 0.9800 . ?
C307 H30O 0.9900 . ?
C307 H30P 0.9900 . ?
C307 C308 1.528(4) . ?
C308 H30Q 0.9900 . ?
C308 H30R 0.9900 . ?
C308 C309 1.529(4) . ?
C309 H30S 0.9800 . ?
C309 H30T 0.9800 . ?
C309 H30U 0.9800 . ?
O403 C402 1.414(5) . ?
O403 C404 1.415(5) . ?
C401 H40A 0.9800 . ?
C401 H40B 0.9800 . ?
C401 H40C 0.9800 . ?
C401 C402 1.513(7) . ?
C402 H40D 0.9900 . ?
C402 H40E 0.9900 . ?
C404 H40F 0.9900 . ?
C404 H40G 0.9900 . ?
C404 C405 1.484(6) . ?
C405 H40H 0.9800 . ?
C405 H40I 0.9800 . ?
C405 H40J 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
Co1 Ge1 Co2 112.858(13) . . ?
Co3 Ge1 Co1 114.487(13) . . ?
Co3 Ge1 Co2 115.422(14) . . ?
Cl1 Ge1 Co1 104.662(19) . . ?
Cl1 Ge1 Co2 105.498(18) . . ?
Cl1 Ge1 Co3 102.203(19) . . ?
P1 Co1 Ge1 173.20(2) . . ?
C14 Co1 Ge1 91.16(8) . . ?
C14 Co1 P1 94.36(8) . . ?
C17 Co1 Ge1 88.80(9) . . ?
C17 Co1 P1 92.62(9) . . ?
C17 Co1 C14 113.47(13) . . ?
C018 Co1 Ge1 83.74(8) . . ?
C018 Co1 P1 90.00(8) . . ?
C018 Co1 C14 121.32(12) . . ?
C018 Co1 C17 124.74(13) . . ?
P2 Co2 Ge1 172.19(2) . . ?
C21 Co2 Ge1 86.36(7) . . ?
C21 Co2 P2 91.28(8) . . ?
C21 Co2 C23 127.07(12) . . ?
C21 Co2 C25 113.59(12) . . ?
C23 Co2 Ge1 85.39(8) . . ?
C23 Co2 P2 90.12(8) . . ?
C25 Co2 Ge1 92.08(8) . . ?
C25 Co2 P2 95.68(8) . . ?
C25 Co2 C23 118.89(13) . . ?
P3 Co3 Ge1 178.14(2) . . ?
C31 Co3 Ge1 87.28(8) . . ?
C31 Co3 P3 91.08(8) . . ?
C31 Co3 C33 119.93(12) . . ?
C33 Co3 Ge1 88.84(8) . . ?
C33 Co3 P3 92.74(8) . . ?
C35 Co3 Ge1 86.26(8) . . ?
C35 Co3 P3 93.86(8) . . ?
C35 Co3 C31 121.60(12) . . ?
C35 Co3 C33 117.89(12) . . ?
C101 P1 Co1 115.04(9) . . ?
C104 P1 Co1 116.35(9) . . ?
C104 P1 C101 104.61(13) . . ?
C104 P1 C107 101.07(13) . . ?
C107 P1 Co1 114.88(9) . . ?
C107 P1 C101 103.04(13) . . ?
C201 P2 Co2 113.76(8) . . ?
C204 P2 Co2 115.28(8) . . ?
C204 P2 C201 103.95(11) . . ?
C207 P2 Co2 116.21(8) . . ?
C207 P2 C201 104.15(11) . . ?
C207 P2 C204 101.88(11) . . ?
C301 P3 Co3 115.36(8) . . ?
C301 P3 C304 103.30(12) . . ?
C301 P3 C307 104.52(13) . . ?
C304 P3 Co3 115.32(8) . . ?
C304 P3 C307 102.61(11) . . ?
C307 P3 Co3 114.16(9) . . ?
O15 C14 Co1 176.9(2) . . ?
O18 C17 Co1 175.6(2) . . ?
O16 C018 Co1 176.8(2) . . ?
O22 C21 Co2 176.5(2) . . ?
O24 C23 Co2 175.4(2) . . ?
O26 C25 Co2 176.6(3) . . ?
O32 C31 Co3 176.1(2) . . ?
O34 C33 Co3 176.1(2) . . ?
O36 C35 Co3 178.3(2) . . ?
P1 C101 H10A 108.6 . . ?
P1 C101 H10B 108.6 . . ?
H10A C101 H10B 107.6 . . ?
C102 C101 P1 114.53(18) . . ?
C102 C101 H10A 108.6 . . ?
C102 C101 H10B 108.6 . . ?
C101 C102 H10C 109.2 . . ?
C101 C102 H10D 109.2 . . ?
C101 C102 C103 112.1(2) . . ?
H10C C102 H10D 107.9 . . ?
C103 C102 H10C 109.2 . . ?
C103 C102 H10D 109.2 . . ?
C102 C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
C102 C103 H10G 109.5 . . ?
H10E C103 H10F 109.5 . . ?
H10E C103 H10G 109.5 . . ?
H10F C103 H10G 109.5 . . ?
P1 C104 H10H 108.0 . . ?
P1 C104 H10I 108.0 . . ?
H10H C104 H10I 107.3 . . ?
C105 C104 P1 117.1(2) . . ?
C105 C104 H10H 108.0 . . ?
C105 C104 H10I 108.0 . . ?
C104 C105 H10J 109.5 . . ?
C104 C105 H10K 109.5 . . ?
C104 C105 C106 110.7(2) . . ?
H10J C105 H10K 108.1 . . ?
C106 C105 H10J 109.5 . . ?
C106 C105 H10K 109.5 . . ?
C105 C106 H10L 109.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10L C106 H10M 109.5 . . ?
H10L C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
P1 C107 H10O 108.7 . . ?
P1 C107 H10P 108.7 . . ?
H10O C107 H10P 107.6 . . ?
C108 C107 P1 114.34(19) . . ?
C108 C107 H10O 108.7 . . ?
C108 C107 H10P 108.7 . . ?
C107 C108 H10Q 109.1 . . ?
C107 C108 H10R 109.1 . . ?
H10Q C108 H10R 107.8 . . ?
C109 C108 C107 112.5(3) . . ?
C109 C108 H10Q 109.1 . . ?
C109 C108 H10R 109.1 . . ?
C108 C109 H10S 109.5 . . ?
C108 C109 H10T 109.5 . . ?
C108 C109 H10U 109.5 . . ?
H10S C109 H10T 109.5 . . ?
H10S C109 H10U 109.5 . . ?
H10T C109 H10U 109.5 . . ?
P2 C201 H20A 108.8 . . ?
P2 C201 H20B 108.8 . . ?
H20A C201 H20B 107.7 . . ?
C202 C201 P2 113.84(17) . . ?
C202 C201 H20A 108.8 . . ?
C202 C201 H20B 108.8 . . ?
C201 C202 H20C 109.0 . . ?
C201 C202 H20D 109.0 . . ?
H20C C202 H20D 107.8 . . ?
C203 C202 C201 113.1(2) . . ?
C203 C202 H20C 109.0 . . ?
C203 C202 H20D 109.0 . . ?
C202 C203 H20E 109.5 . . ?
C202 C203 H20F 109.5 . . ?
C202 C203 H20G 109.5 . . ?
H20E C203 H20F 109.5 . . ?
H20E C203 H20G 109.5 . . ?
H20F C203 H20G 109.5 . . ?
P2 C204 H20H 108.7 . . ?
P2 C204 H20I 108.7 . . ?
H20H C204 H20I 107.6 . . ?
C205 C204 P2 114.33(17) . . ?
C205 C204 H20H 108.7 . . ?
C205 C204 H20I 108.7 . . ?
C204 C205 H20J 109.1 . . ?
C204 C205 H20K 109.1 . . ?
H20J C205 H20K 107.9 . . ?
C206 C205 C204 112.3(2) . . ?
C206 C205 H20J 109.1 . . ?
C206 C205 H20K 109.1 . . ?
C205 C206 H20L 109.5 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
H20L C206 H20M 109.5 . . ?
H20L C206 H20N 109.5 . . ?
H20M C206 H20N 109.5 . . ?
P2 C207 H20O 108.3 . . ?
P2 C207 H20P 108.3 . . ?
H20O C207 H20P 107.4 . . ?
C208 C207 P2 116.12(17) . . ?
C208 C207 H20O 108.3 . . ?
C208 C207 H20P 108.3 . . ?
C207 C208 H20Q 109.4 . . ?
C207 C208 H20R 109.4 . . ?
H20Q C208 H20R 108.0 . . ?
C209 C208 C207 111.0(2) . . ?
C209 C208 H20Q 109.4 . . ?
C209 C208 H20R 109.4 . . ?
C208 C209 H20S 109.5 . . ?
C208 C209 H20T 109.5 . . ?
C208 C209 H20U 109.5 . . ?
H20S C209 H20T 109.5 . . ?
H20S C209 H20U 109.5 . . ?
H20T C209 H20U 109.5 . . ?
P3 C301 H30A 108.8 . . ?
P3 C301 H30B 108.8 . . ?
H30A C301 H30B 107.7 . . ?
C302 C301 P3 113.64(18) . . ?
C302 C301 H30A 108.8 . . ?
C302 C301 H30B 108.8 . . ?
C301 C302 H30C 109.1 . . ?
C301 C302 H30D 109.1 . . ?
H30C C302 H30D 107.9 . . ?
C303 C302 C301 112.4(3) . . ?
C303 C302 H30C 109.1 . . ?
C303 C302 H30D 109.1 . . ?
C302 C303 H30E 109.5 . . ?
C302 C303 H30F 109.5 . . ?
C302 C303 H30G 109.5 . . ?
H30E C303 H30F 109.5 . . ?
H30E C303 H30G 109.5 . . ?
H30F C303 H30G 109.5 . . ?
P3 C304 H30H 108.5 . . ?
P3 C304 H30I 108.5 . . ?
H30H C304 H30I 107.5 . . ?
C305 C304 P3 115.16(16) . . ?
C305 C304 H30H 108.5 . . ?
C305 C304 H30I 108.5 . . ?
C304 C305 H30J 109.3 . . ?
C304 C305 H30K 109.3 . . ?
H30J C305 H30K 108.0 . . ?
C306 C305 C304 111.6(2) . . ?
C306 C305 H30J 109.3 . . ?
C306 C305 H30K 109.3 . . ?
C305 C306 H30L 109.5 . . ?
C305 C306 H30M 109.5 . . ?
C305 C306 H30N 109.5 . . ?
H30L C306 H30M 109.5 . . ?
H30L C306 H30N 109.5 . . ?
H30M C306 H30N 109.5 . . ?
P3 C307 H30O 108.8 . . ?
P3 C307 H30P 108.8 . . ?
H30O C307 H30P 107.7 . . ?
C308 C307 P3 113.87(18) . . ?
C308 C307 H30O 108.8 . . ?
C308 C307 H30P 108.8 . . ?
C307 C308 H30Q 109.2 . . ?
C307 C308 H30R 109.2 . . ?
C307 C308 C309 112.0(2) . . ?
H30Q C308 H30R 107.9 . . ?
C309 C308 H30Q 109.2 . . ?
C309 C308 H30R 109.2 . . ?
C308 C309 H30S 109.5 . . ?
C308 C309 H30T 109.5 . . ?
C308 C309 H30U 109.5 . . ?
H30S C309 H30T 109.5 . . ?
H30S C309 H30U 109.5 . . ?
H30T C309 H30U 109.5 . . ?
C402 O403 C404 112.1(3) . . ?
H40A C401 H40B 109.5 . . ?
H40A C401 H40C 109.5 . . ?
H40B C401 H40C 109.5 . . ?
C402 C401 H40A 109.5 . . ?
C402 C401 H40B 109.5 . . ?
C402 C401 H40C 109.5 . . ?
O403 C402 C401 108.7(4) . . ?
O403 C402 H40D 110.0 . . ?
O403 C402 H40E 110.0 . . ?
C401 C402 H40D 110.0 . . ?
C401 C402 H40E 110.0 . . ?
H40D C402 H40E 108.3 . . ?
O403 C404 H40F 109.7 . . ?
O403 C404 H40G 109.7 . . ?
O403 C404 C405 109.7(3) . . ?
H40F C404 H40G 108.2 . . ?
C405 C404 H40F 109.7 . . ?
C405 C404 H40G 109.7 . . ?
C404 C405 H40H 109.5 . . ?
C404 C405 H40I 109.5 . . ?
C404 C405 H40J 109.5 . . ?
H40H C405 H40I 109.5 . . ?
H40H C405 H40J 109.5 . . ?
H40I C405 H40J 109.5 . . ?

