# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_scw2101m_0m_5
_database_code_depnum_ccdc_archive 'CCDC 2109346'
loop_
_audit_author_name
_audit_author_address
'Cheuk-Wai So'
;Nanyang Technological University
Singapore
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H40 Cl Ge N2 P'
_chemical_formula_iupac          ?
_chemical_formula_weight         531.62
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   15.8519(13)
_cell_length_b                   10.8312(8)
_cell_length_c                   16.0462(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2755.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2698
_cell_measurement_theta_min      2.5698
_cell_measurement_theta_max      28.1056
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.120
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120

_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_absorpt_correction_T_min  0.19
_exptl_absorpt_correction_T_max  0.86

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            8578
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1739
_diffrn_reflns_theta_min         2.27
_diffrn_reflns_theta_max         31.50
_diffrn_reflns_theta_full        31.50
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       0

_refine_special_details          
;

Refined as a 2-component twin.
;

_reflns_number_total             8578
_reflns_number_gt                5583
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1342
_refine_ls_R_factor_gt           0.0891
_refine_ls_wR_factor_gt          0.2074
_refine_ls_wR_factor_ref         0.2518
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_restrained_S_all      0.993
_refine_ls_number_reflns         8578
_refine_ls_number_parameters     300
_refine_ls_number_restraints     1
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1169P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.278
_refine_diff_density_min         -1.638
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.102(16)

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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2018)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8240(5) 0.5260(7) 0.5202(5) 0.0211(14) Uani d . . . 1 . .
C C2 0.8852(5) 0.5856(8) 0.4713(5) 0.0233(17) Uani d . . . 1 . .
C C3 0.9641(5) 0.6106(8) 0.5077(6) 0.0284(18) Uani d . . . 1 . .
H H3 1.005585 0.653469 0.476289 0.034 Uiso calc U . R 1 . .
C C4 0.9827(5) 0.5740(9) 0.5884(6) 0.032(2) Uani d . . . 1 . .
H H4 1.036173 0.592009 0.612102 0.039 Uiso calc U . R 1 . .
C C5 0.9231(5) 0.5115(9) 0.6337(6) 0.0297(19) Uani d . . . 1 . .
H H5 0.937243 0.483131 0.688004 0.036 Uiso calc U . R 1 . .
C C6 0.8424(5) 0.4881(7) 0.6029(5) 0.0218(15) Uani d . . . 1 . .
C C7 0.7799(5) 0.4228(8) 0.6597(5) 0.0245(16) Uani d . . . 1 . .
H H7 0.724346 0.420319 0.630146 0.029 Uiso calc U . R 1 . .
C C8 0.8060(8) 0.2893(9) 0.6778(7) 0.039(2) Uani d . . . 1 . .
H H8A 0.813388 0.244726 0.625197 0.058 Uiso calc U . R 1 . .
H H8B 0.76206 0.248876 0.711032 0.058 Uiso calc U . R 1 . .
H H8C 0.85921 0.288937 0.708905 0.058 Uiso calc U . R 1 . .
C C9 0.7671(6) 0.4923(9) 0.7412(6) 0.0300(18) Uani d . . . 1 . .
H H9A 0.81946 0.490485 0.7736 0.045 Uiso calc U . R 1 . .
H H9B 0.721803 0.453027 0.773197 0.045 Uiso calc U . R 1 . .
H H9C 0.751767 0.578139 0.729169 0.045 Uiso calc U . R 1 . .
C C10 0.8718(6) 0.6254(9) 0.3816(6) 0.0287(17) Uani d . . . 1 . .
H H10 0.813135 0.602751 0.364574 0.034 Uiso calc U . R 1 . .
C C11 0.9347(7) 0.5600(10) 0.3227(7) 0.038(2) Uani d . . . 1 . .
H H11A 0.920059 0.578781 0.2647 0.058 Uiso calc U . R 1 . .
H H11B 0.931791 0.470591 0.331627 0.058 Uiso calc U . R 1 . .
H H11C 0.991988 0.589136 0.334331 0.058 Uiso calc U . R 1 . .
C C12 0.8824(6) 0.7642(9) 0.3726(8) 0.038(2) Uani d . . . 1 . .
H H12A 0.843356 0.806485 0.410332 0.057 Uiso calc U . R 1 . .
H H12B 0.870295 0.788469 0.314988 0.057 Uiso calc U . R 1 . .
H H12C 0.940525 0.787163 0.386629 0.057 Uiso calc U . R 1 . .
C C13 0.6808(5) 0.5830(7) 0.4721(5) 0.0221(16) Uani d . . . 1 . .
C C14 0.6943(5) 0.7138(8) 0.4965(6) 0.0232(16) Uani d . . . 1 . .
C C15 0.7198(5) 0.7465(8) 0.5768(6) 0.0260(17) Uani d . . . 1 . .
H H15 0.732153 0.683932 0.616394 0.031 Uiso calc U . R 1 . .
C C16 0.7273(6) 0.8695(10) 0.5991(7) 0.0318(19) Uani d . . . 1 . .
H H16 0.743461 0.890752 0.654252 0.038 Uiso calc U . R 1 . .
C C17 0.7115(6) 0.9615(8) 0.5416(6) 0.0287(18) Uani d . . . 1 . .
H H17 0.718278 1.045765 0.556575 0.034 Uiso calc U . R 1 . .
C C18 0.6853(5) 0.9298(7) 0.4611(7) 0.0278(16) Uani d . . . 1 . .
H H18 0.674165 0.992377 0.421132 0.033 Uiso calc U . R 1 . .
C C19 0.6755(6) 0.8056(7) 0.4400(5) 0.0263(18) Uani d . . . 1 . .
H H19 0.655711 0.784073 0.38601 0.032 Uiso calc U . R 1 . .
C C20 0.5091(5) 0.3560(9) 0.4893(6) 0.0260(16) Uani d . . . 1 . .
C C21 0.5517(6) 0.3586(10) 0.5756(6) 0.0325(19) Uani d . . . 1 . .
H H21A 0.567694 0.443578 0.589337 0.049 Uiso calc U . R 1 . .
H H21B 0.602213 0.306455 0.574615 0.049 Uiso calc U . R 1 . .
H H21C 0.512278 0.327421 0.617658 0.049 Uiso calc U . R 1 . .
C C22 0.4837(5) 0.2238(8) 0.4681(6) 0.030(2) Uani d . . . 1 . .
H H22A 0.534311 0.172142 0.464587 0.045 Uiso calc U . R 1 . .
H H22B 0.454134 0.222699 0.414503 0.045 Uiso calc U . R 1 . .
H H22C 0.446361 0.191778 0.511725 0.045 Uiso calc U . R 1 . .
C C23 0.4319(6) 0.4418(9) 0.4928(7) 0.033(2) Uani d . . . 1 . .
H H23A 0.393431 0.413652 0.536587 0.05 Uiso calc U . R 1 . .
H H23B 0.40276 0.440352 0.43893 0.05 Uiso calc U . R 1 . .
H H23C 0.450473 0.526221 0.505001 0.05 Uiso calc U . R 1 . .
C C24 0.5563(5) 0.4020(8) 0.3025(5) 0.0259(17) Uani d . . . 1 . .
C C25 0.6089(6) 0.4979(9) 0.2573(5) 0.0275(17) Uani d . . . 1 . .
H H25A 0.59527 0.49631 0.197737 0.041 Uiso calc U . R 1 . .
H H25B 0.668936 0.479349 0.264964 0.041 Uiso calc U . R 1 . .
H H25C 0.596547 0.579913 0.279959 0.041 Uiso calc U . R 1 . .
C C26 0.4620(6) 0.4326(9) 0.2891(6) 0.0311(19) Uani d . . . 1 . .
H H26A 0.450315 0.515987 0.309793 0.047 Uiso calc U . R 1 . .
H H26B 0.427186 0.372868 0.319382 0.047 Uiso calc U . R 1 . .
H H26C 0.448778 0.42844 0.229468 0.047 Uiso calc U . R 1 . .
C C27 0.5735(6) 0.2726(8) 0.2680(6) 0.0297(18) Uani d . . . 1 . .
H H27A 0.536868 0.212725 0.296082 0.045 Uiso calc U . R 1 . .
H H27B 0.632641 0.250697 0.277695 0.045 Uiso calc U . R 1 . .
H H27C 0.561867 0.271487 0.207972 0.045 Uiso calc U . R 1 . .
Cl Cl1 0.78952(14) 0.3205(2) 0.33065(16) 0.0317(5) Uani d . . . 1 . .
Ge Ge1 0.72426(5) 0.31913(7) 0.45843(6) 0.0235(2) Uani d . . . 1 . .
N N1 0.7417(4) 0.4949(6) 0.4863(5) 0.0215(13) Uani d . . . 1 . .
N N2 0.6078(4) 0.5574(6) 0.4369(4) 0.0214(13) Uani d . . . 1 . .
P P1 0.59028(12) 0.40944(19) 0.41406(14) 0.0214(4) Uani d . . . 1 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.406(11) ?
C1 C6 . 1.421(12) ?
C1 N1 . 1.453(11) ?
C2 C3 . 1.407(12) ?
C2 C10 . 1.517(13) ?
C3 C4 . 1.386(14) ?
C3 H3 . 0.95 ?
C4 C5 . 1.371(14) ?
C4 H4 . 0.95 ?
C5 C6 . 1.394(11) ?
C5 H5 . 0.95 ?
C6 C7 . 1.520(12) ?
C7 C9 . 1.523(13) ?
C7 C8 . 1.532(13) ?
C7 H7 . 1.0 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C12 . 1.520(13) ?
C10 C11 . 1.546(14) ?
C10 H10 . 1.0 ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C13 N2 . 1.318(10) ?
C13 N1 . 1.376(10) ?
C13 C14 . 1.485(11) ?
C14 C19 . 1.378(12) ?
C14 C15 . 1.396(12) ?
C15 C16 . 1.384(14) ?
C15 H15 . 0.95 ?
C16 C17 . 1.381(14) ?
C16 H16 . 0.95 ?
C17 C18 . 1.399(14) ?
C17 H17 . 0.95 ?
C18 C19 . 1.396(11) ?
C18 H18 . 0.95 ?
C19 H19 . 0.95 ?
C20 C22 . 1.524(12) ?
C20 C23 . 1.537(13) ?
C20 C21 . 1.541(13) ?
C20 P1 . 1.857(9) ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 C25 . 1.517(12) ?
C24 C27 . 1.532(12) ?
C24 C26 . 1.547(12) ?
C24 P1 . 1.871(9) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
Cl1 Ge1 . 2.297(3) ?
Ge1 N1 . 1.975(7) ?
Ge1 P1 . 2.444(2) ?
N2 P1 . 1.667(7) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 120.9(7) ?
C2 C1 N1 . . 121.2(7) ?
C6 C1 N1 . . 117.9(7) ?
C1 C2 C3 . . 118.0(8) ?
C1 C2 C10 . . 124.3(8) ?
C3 C2 C10 . . 117.7(8) ?
C4 C3 C2 . . 121.5(8) ?
C4 C3 H3 . . 119.3 ?
C2 C3 H3 . . 119.3 ?
C5 C4 C3 . . 119.4(8) ?
C5 C4 H4 . . 120.3 ?
C3 C4 H4 . . 120.3 ?
C4 C5 C6 . . 122.2(9) ?
C4 C5 H5 . . 118.9 ?
C6 C5 H5 . . 118.9 ?
C5 C6 C1 . . 117.9(8) ?
C5 C6 C7 . . 118.0(8) ?
C1 C6 C7 . . 124.1(7) ?
C6 C7 C9 . . 111.8(7) ?
C6 C7 C8 . . 112.1(8) ?
C9 C7 C8 . . 109.8(8) ?
C6 C7 H7 . . 107.6 ?
C9 C7 H7 . . 107.6 ?
C8 C7 H7 . . 107.6 ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C2 C10 C12 . . 110.8(8) ?
C2 C10 C11 . . 111.1(8) ?
C12 C10 C11 . . 108.9(8) ?
C2 C10 H10 . . 108.7 ?
C12 C10 H10 . . 108.7 ?
C11 C10 H10 . . 108.7 ?
C10 C11 H11A . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C10 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C10 C12 H12A . . 109.5 ?
C10 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C10 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N2 C13 N1 . . 122.7(7) ?
N2 C13 C14 . . 116.1(7) ?
N1 C13 C14 . . 121.2(7) ?
C19 C14 C15 . . 119.1(8) ?
C19 C14 C13 . . 118.9(8) ?
C15 C14 C13 . . 121.8(8) ?
C16 C15 C14 . . 120.5(8) ?
C16 C15 H15 . . 119.7 ?
C14 C15 H15 . . 119.7 ?
C17 C16 C15 . . 120.4(9) ?
C17 C16 H16 . . 119.8 ?
C15 C16 H16 . . 119.8 ?
C16 C17 C18 . . 119.6(8) ?
C16 C17 H17 . . 120.2 ?
C18 C17 H17 . . 120.2 ?
C19 C18 C17 . . 119.6(8) ?
C19 C18 H18 . . 120.2 ?
C17 C18 H18 . . 120.2 ?
C14 C19 C18 . . 120.7(8) ?
C14 C19 H19 . . 119.6 ?
C18 C19 H19 . . 119.6 ?
C22 C20 C23 . . 111.5(7) ?
C22 C20 C21 . . 109.4(8) ?
C23 C20 C21 . . 107.7(8) ?
C22 C20 P1 . . 109.3(6) ?
C23 C20 P1 . . 112.7(6) ?
C21 C20 P1 . . 105.9(6) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C20 C22 H22A . . 109.5 ?
C20 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C20 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C20 C23 H23A . . 109.5 ?
C20 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C20 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C25 C24 C27 . . 110.8(8) ?
C25 C24 C26 . . 108.5(7) ?
C27 C24 C26 . . 108.5(7) ?
C25 C24 P1 . . 105.7(6) ?
C27 C24 P1 . . 109.6(6) ?
C26 C24 P1 . . 113.7(6) ?
C24 C25 H25A . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C24 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C24 C26 H26A . . 109.5 ?
C24 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C24 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C24 C27 H27A . . 109.5 ?
C24 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
N1 Ge1 Cl1 . . 97.6(2) ?
N1 Ge1 P1 . . 78.6(2) ?
Cl1 Ge1 P1 . . 97.40(8) ?
C13 N1 C1 . . 122.0(7) ?
C13 N1 Ge1 . . 122.2(6) ?
C1 N1 Ge1 . . 115.7(5) ?
C13 N2 P1 . . 116.3(6) ?
N2 P1 C20 . . 105.8(4) ?
N2 P1 C24 . . 107.5(4) ?
C20 P1 C24 . . 114.1(4) ?
N2 P1 Ge1 . . 100.1(2) ?
C20 P1 Ge1 . . 106.7(3) ?
C24 P1 Ge1 . . 120.8(3) ?



####################################################################### 
# 
# 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_scw2123m_0m_5
_database_code_depnum_ccdc_archive 'CCDC 2109347'
loop_
_audit_author_name
_audit_author_address
'Cheuk-Wai So'
;Nanyang Technological University
Singapore
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H28 Cl Ge N2 P'
_chemical_formula_iupac          ?
_chemical_formula_weight         447.46

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.931(2)
_cell_length_b                   9.1937(13)
_cell_length_c                   16.339(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.054(5)
_cell_angle_gamma                90
_cell_volume                     2144.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1575
_cell_measurement_theta_min      2.5706
_cell_measurement_theta_max      27.6581
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             928

_exptl_absorpt_coefficient_mu    1.635
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_T_max  0.97

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            6529
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.1232
_diffrn_reflns_theta_min         2.58
_diffrn_reflns_theta_max         31.50
_diffrn_reflns_theta_full        31.50
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.970
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       23

_refine_special_details          
;

Refined as a 2-component twin.
;

_reflns_number_total             6529
_reflns_number_gt                4425
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1112
_refine_ls_R_factor_gt           0.0594
_refine_ls_wR_factor_gt          0.1148
_refine_ls_wR_factor_ref         0.1359
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_number_reflns         6529
_refine_ls_number_parameters     242
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0570P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.764
_refine_diff_density_min         -1.232
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2018)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8564(3) 0.6049(5) 0.3582(3) 0.0138(8) Uani d . . . 1 . .
C C2 0.8912(3) 0.5552(5) 0.2935(3) 0.0176(9) Uani d . . . 1 . .
H H2 0.883768 0.455714 0.277243 0.021 Uiso calc U . R 1 . .
C C3 0.9362(3) 0.6473(5) 0.2522(3) 0.0190(10) Uani d . . . 1 . .
H H3 0.959193 0.611533 0.207681 0.023 Uiso calc U . R 1 . .
C C4 0.9481(3) 0.7930(5) 0.2759(3) 0.0224(10) Uani d . . . 1 . .
H H4 0.978342 0.857265 0.246866 0.027 Uiso calc U . R 1 . .
C C5 0.9158(4) 0.8441(5) 0.3418(3) 0.0244(11) Uani d . . . 1 . .
H H5 0.924992 0.943006 0.359023 0.029 Uiso calc U . R 1 . .
C C6 0.8698(3) 0.7500(4) 0.3829(3) 0.0185(10) Uani d . . . 1 . .
H H6 0.847369 0.78515 0.42798 0.022 Uiso calc U . R 1 . .
C C7 0.7192(3) 0.4969(5) 0.3855(3) 0.0140(9) Uani d . . . 1 . .
C C8 0.6566(3) 0.5951(5) 0.3210(3) 0.0152(8) Uani d . . . 1 . .
C C9 0.6593(3) 0.6050(5) 0.2368(3) 0.0197(9) Uani d . . . 1 . .
H H9 0.703491 0.548972 0.218768 0.024 Uiso calc U . R 1 . .
C C10 0.5978(3) 0.6965(5) 0.1789(3) 0.0229(10) Uani d . . . 1 . .
H H10 0.599003 0.700701 0.121122 0.028 Uiso calc U . R 1 . .
C C11 0.5349(3) 0.7814(5) 0.2052(3) 0.0224(10) Uani d . . . 1 . .
H H11 0.49407 0.84572 0.166015 0.027 Uiso calc U . R 1 . .
C C12 0.5316(4) 0.7726(5) 0.2884(3) 0.0247(11) Uani d . . . 1 . .
H H12 0.488237 0.830729 0.306457 0.03 Uiso calc U . R 1 . .
C C13 0.5913(3) 0.6790(5) 0.3462(3) 0.0196(10) Uani d . . . 1 . .
H H13 0.587688 0.672047 0.403124 0.024 Uiso calc U . R 1 . .
C C14 0.7280(3) 0.3956(5) 0.6023(3) 0.0196(9) Uani d . . . 1 . .
C C15 0.7662(4) 0.5504(5) 0.6066(3) 0.0269(11) Uani d . . . 1 . .
H H15A 0.733942 0.602369 0.553836 0.04 Uiso calc U . R 1 . .
H H15B 0.833526 0.547091 0.613027 0.04 Uiso calc U . R 1 . .
H H15C 0.755675 0.601133 0.655744 0.04 Uiso calc U . R 1 . .
C C16 0.6237(3) 0.4029(5) 0.5954(3) 0.0270(11) Uani d . . . 1 . .
H H16A 0.615473 0.453526 0.645413 0.04 Uiso calc U . R 1 . .
H H16B 0.598509 0.304028 0.592935 0.04 Uiso calc U . R 1 . .
H H16C 0.590405 0.455711 0.543238 0.04 Uiso calc U . R 1 . .
C C17 0.7819(4) 0.3101(6) 0.6830(3) 0.0298(12) Uani d . . . 1 . .
H H17A 0.846861 0.295844 0.682778 0.045 Uiso calc U . R 1 . .
H H17B 0.752041 0.215233 0.683316 0.045 Uiso calc U . R 1 . .
H H17C 0.781014 0.364885 0.73423 0.045 Uiso calc U . R 1 . .
C C18 0.7153(3) 0.1184(5) 0.4868(3) 0.0181(9) Uani d . . . 1 . .
C C19 0.7060(3) 0.0888(5) 0.3917(3) 0.0210(9) Uani d . . . 1 . .
H H19A 0.692562 -0.014494 0.379121 0.031 Uiso calc U . R 1 . .
H H19B 0.764811 0.114477 0.379972 0.031 Uiso calc U . R 1 . .
H H19C 0.654909 0.147693 0.355508 0.031 Uiso calc U . R 1 . .
C C20 0.7950(4) 0.0240(5) 0.5431(3) 0.0252(11) Uani d . . . 1 . .
H H20A 0.778421 -0.079011 0.533481 0.038 Uiso calc U . R 1 . .
H H20B 0.804581 0.047883 0.603521 0.038 Uiso calc U . R 1 . .
H H20C 0.852865 0.043113 0.528108 0.038 Uiso calc U . R 1 . .
C C21 0.6222(4) 0.0796(5) 0.5037(3) 0.0266(11) Uani d . . . 1 . .
H H21A 0.573332 0.147062 0.47224 0.04 Uiso calc U . R 1 . .
H H21B 0.629429 0.087198 0.565098 0.04 Uiso calc U . R 1 . .
H H21C 0.604432 -0.020036 0.484402 0.04 Uiso calc U . R 1 . .
Cl Cl1 0.94119(8) 0.22431(12) 0.41664(8) 0.0210(2) Uani d . . . 1 . .
Ge Ge1 0.90316(4) 0.40116(5) 0.49951(3) 0.01428(11) Uani d . . . 1 . .
N N1 0.8135(3) 0.5057(4) 0.4023(2) 0.0132(7) Uani d . . . 1 . .
N N2 0.6773(3) 0.4079(4) 0.4254(2) 0.0168(8) Uani d . . . 1 . .
P P1 0.74889(8) 0.31243(12) 0.50525(7) 0.0142(2) Uani d . . . 1 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.386(6) ?
C1 C6 . 1.391(6) ?
C1 N1 . 1.426(5) ?
C2 C3 . 1.374(6) ?
C2 H2 . 0.95 ?
C3 C4 . 1.390(6) ?
C3 H3 . 0.95 ?
C4 C5 . 1.386(7) ?
C4 H4 . 0.95 ?
C5 C6 . 1.393(6) ?
C5 H5 . 0.95 ?
C6 H6 . 0.95 ?
C7 N2 . 1.313(5) ?
C7 N1 . 1.356(6) ?
C7 C8 . 1.491(6) ?
C8 C9 . 1.390(6) ?
C8 C13 . 1.396(6) ?
C9 C10 . 1.392(6) ?
C9 H9 . 0.95 ?
C10 C11 . 1.383(7) ?
C10 H10 . 0.95 ?
C11 C12 . 1.377(7) ?
C11 H11 . 0.95 ?
C12 C13 . 1.390(7) ?
C12 H12 . 0.95 ?
C13 H13 . 0.95 ?
C14 C15 . 1.528(7) ?
C14 C16 . 1.529(6) ?
C14 C17 . 1.543(7) ?
C14 P1 . 1.868(4) ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 C21 . 1.535(6) ?
C18 C20 . 1.541(7) ?
C18 C19 . 1.545(6) ?
C18 P1 . 1.854(4) ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
Cl1 Ge1 . 2.2914(12) ?
Ge1 N1 . 1.997(4) ?
Ge1 P1 . 2.4712(13) ?
N2 P1 . 1.672(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 118.9(4) ?
C2 C1 N1 . . 120.0(4) ?
C6 C1 N1 . . 120.9(4) ?
C3 C2 C1 . . 121.2(4) ?
C3 C2 H2 . . 119.4 ?
C1 C2 H2 . . 119.4 ?
C2 C3 C4 . . 119.9(4) ?
C2 C3 H3 . . 120.0 ?
C4 C3 H3 . . 120.0 ?
C5 C4 C3 . . 119.8(4) ?
C5 C4 H4 . . 120.1 ?
C3 C4 H4 . . 120.1 ?
C4 C5 C6 . . 119.9(4) ?
C4 C5 H5 . . 120.1 ?
C6 C5 H5 . . 120.1 ?
C1 C6 C5 . . 120.3(4) ?
C1 C6 H6 . . 119.9 ?
C5 C6 H6 . . 119.9 ?
N2 C7 N1 . . 123.6(4) ?
N2 C7 C8 . . 116.0(4) ?
N1 C7 C8 . . 120.4(4) ?
C9 C8 C13 . . 118.7(4) ?
C9 C8 C7 . . 123.1(4) ?
C13 C8 C7 . . 118.2(4) ?
C8 C9 C10 . . 120.5(4) ?
C8 C9 H9 . . 119.7 ?
C10 C9 H9 . . 119.7 ?
C11 C10 C9 . . 120.1(5) ?
C11 C10 H10 . . 119.9 ?
C9 C10 H10 . . 119.9 ?
C12 C11 C10 . . 119.9(5) ?
C12 C11 H11 . . 120.1 ?
C10 C11 H11 . . 120.1 ?
C11 C12 C13 . . 120.3(5) ?
C11 C12 H12 . . 119.9 ?
C13 C12 H12 . . 119.9 ?
C12 C13 C8 . . 120.4(4) ?
C12 C13 H13 . . 119.8 ?
C8 C13 H13 . . 119.8 ?
C15 C14 C16 . . 108.7(4) ?
C15 C14 C17 . . 110.0(4) ?
C16 C14 C17 . . 110.5(4) ?
C15 C14 P1 . . 105.5(3) ?
C16 C14 P1 . . 112.0(3) ?
C17 C14 P1 . . 110.0(3) ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C14 C16 H16A . . 109.5 ?
C14 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C14 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C14 C17 H17A . . 109.5 ?
C14 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C14 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C21 C18 C20 . . 110.1(4) ?
C21 C18 C19 . . 108.7(4) ?
C20 C18 C19 . . 109.1(4) ?
C21 C18 P1 . . 114.2(3) ?
C20 C18 P1 . . 108.7(3) ?
C19 C18 P1 . . 105.8(3) ?
C18 C19 H19A . . 109.5 ?
C18 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C18 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C18 C20 H20A . . 109.5 ?
C18 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C18 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C18 C21 H21A . . 109.5 ?
C18 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C18 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
N1 Ge1 Cl1 . . 95.51(11) ?
N1 Ge1 P1 . . 76.94(11) ?
Cl1 Ge1 P1 . . 100.57(4) ?
C7 N1 C1 . . 122.0(4) ?
C7 N1 Ge1 . . 123.1(3) ?
C1 N1 Ge1 . . 114.4(3) ?
C7 N2 P1 . . 115.2(3) ?
N2 P1 C18 . . 107.3(2) ?
N2 P1 C14 . . 102.7(2) ?
C18 P1 C14 . . 115.3(2) ?
N2 P1 Ge1 . . 100.76(13) ?
C18 P1 Ge1 . . 121.51(16) ?
C14 P1 Ge1 . . 106.67(15) ?



####################################################################### 
# 
# 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_scw2182m
_database_code_depnum_ccdc_archive 'CCDC 2109349'
loop_
_audit_author_name
_audit_author_address
'Cheuk-Wai So'
;Nanyang Technological University
Singapore
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H56 Ge2 N4 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         824.02

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   9.0774(3)
_cell_length_b                   10.8130(3)
_cell_length_c                   12.0946(3)
_cell_angle_alpha                66.6525(11)
_cell_angle_beta                 72.9065(10)
_cell_angle_gamma                80.3782(11)
_cell_volume                     1040.04(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8528
_cell_measurement_theta_min      2.6228
_cell_measurement_theta_max      30.3451
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             430

_exptl_absorpt_coefficient_mu    1.555
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_T_max  0.81

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            29235
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_theta_min         2.62
_diffrn_reflns_theta_max         32.59
_diffrn_reflns_theta_full        32.59
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       18

_refine_special_details          
;
;

_reflns_number_total             7538
_reflns_number_gt                5459
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0499
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.1031
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_number_reflns         7538
_refine_ls_number_parameters     232
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0245P)²+1.2819P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.467
_refine_diff_density_min         -0.710
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2018)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.5104(3) 0.2708(2) 0.8525(2) 0.0207(5) Uani d . . . 1 . .
C C2 0.4536(3) 0.2601(3) 0.9892(2) 0.0229(5) Uani d . . . 1 . .
H H2A 0.403782 0.174842 1.040276 0.034 Uiso calc U . R 1 . .
H H2B 0.379289 0.335676 0.994892 0.034 Uiso calc U . R 1 . .
H H2C 0.541691 0.263064 1.019203 0.034 Uiso calc U . R 1 . .
C C3 0.3745(3) 0.2488(3) 0.8122(2) 0.0294(6) Uani d . . . 1 . .
H H3A 0.333033 0.161003 0.867939 0.044 Uiso calc U . R 1 . .
H H3B 0.410223 0.250984 0.726756 0.044 Uiso calc U . R 1 . .
H H3C 0.293512 0.320392 0.816245 0.044 Uiso calc U . R 1 . .
C C4 0.6394(3) 0.1643(3) 0.8388(2) 0.0288(6) Uani d . . . 1 . .
H H4A 0.721406 0.171608 0.8732 0.043 Uiso calc U . R 1 . .
H H4B 0.681341 0.178308 0.750552 0.043 Uiso calc U . R 1 . .
H H4C 0.59859 0.074479 0.883931 0.043 Uiso calc U . R 1 . .
C C5 0.7548(3) 0.4811(2) 0.7648(2) 0.0189(5) Uani d . . . 1 . .
C C6 0.8924(3) 0.4244(3) 0.6858(2) 0.0260(5) Uani d . . . 1 . .
H H6A 0.988847 0.447658 0.691752 0.039 Uiso calc U . R 1 . .
H H6B 0.88676 0.463279 0.598789 0.039 Uiso calc U . R 1 . .
H H6C 0.889371 0.326052 0.716412 0.039 Uiso calc U . R 1 . .
C C7 0.7648(3) 0.4265(3) 0.9005(2) 0.0253(5) Uani d . . . 1 . .
H H7A 0.773156 0.327668 0.932018 0.038 Uiso calc U . R 1 . .
H H7B 0.67182 0.45716 0.951126 0.038 Uiso calc U . R 1 . .
H H7C 0.855965 0.459835 0.905205 0.038 Uiso calc U . R 1 . .
C C8 0.7584(3) 0.6352(3) 0.7160(2) 0.0248(5) Uani d . . . 1 . .
H H8A 0.670522 0.671332 0.766562 0.037 Uiso calc U . R 1 . .
H H8B 0.752019 0.673351 0.629225 0.037 Uiso calc U . R 1 . .
H H8C 0.854828 0.659329 0.721213 0.037 Uiso calc U . R 1 . .
C C9 0.3688(3) 0.6415(2) 0.7218(2) 0.0161(4) Uani d . . . 1 . .
C C10 0.2438(3) 0.7266(2) 0.7747(2) 0.0183(4) Uani d . . . 1 . .
C C11 0.1046(3) 0.6711(3) 0.8482(2) 0.0245(5) Uani d . . . 1 . .
H H11 0.088044 0.5814 0.861184 0.029 Uiso calc U . R 1 . .
C C12 -0.0110(3) 0.7459(3) 0.9030(2) 0.0327(6) Uani d . . . 1 . .
H H12 -0.106688 0.707396 0.952143 0.039 Uiso calc U . R 1 . .
C C13 0.0117(3) 0.8744(3) 0.8869(3) 0.0362(7) Uani d . . . 1 . .
H H13 -0.066848 0.924092 0.926606 0.043 Uiso calc U . R 1 . .
C C14 0.1490(4) 0.9316(3) 0.8131(3) 0.0393(7) Uani d . . . 1 . .
H H14 0.164557 1.021308 0.800905 0.047 Uiso calc U . R 1 . .
C C15 0.2651(3) 0.8580(3) 0.7561(3) 0.0303(6) Uani d . . . 1 . .
H H15 0.359128 0.898059 0.70429 0.036 Uiso calc U . R 1 . .
C C16 0.3299(3) 0.7762(2) 0.5188(2) 0.0192(5) Uani d . . . 1 . .
C C17 0.1829(3) 0.7596(3) 0.5165(2) 0.0240(5) Uani d . . . 1 . .
H H17 0.137919 0.675114 0.563832 0.029 Uiso calc U . R 1 . .
C C18 0.1010(3) 0.8667(3) 0.4448(2) 0.0300(6) Uani d . . . 1 . .
H H18 -0.000507 0.855887 0.444263 0.036 Uiso calc U . R 1 . .
C C19 0.1681(4) 0.9885(3) 0.3747(2) 0.0340(7) Uani d . . . 1 . .
H H19 0.111716 1.062337 0.327117 0.041 Uiso calc U . R 1 . .
C C20 0.3159(4) 1.0037(3) 0.3732(3) 0.0335(7) Uani d . . . 1 . .
H H20 0.362064 1.08727 0.323059 0.04 Uiso calc U . R 1 . .
C C21 0.3985(3) 0.8977(3) 0.4445(2) 0.0277(6) Uani d . . . 1 . .
H H21 0.501206 0.908217 0.442483 0.033 Uiso calc U . R 1 . .
Ge Ge1 0.58891(3) 0.56405(3) 0.52254(2) 0.01656(7) Uani d . . . 1 . .
N N1 0.4120(2) 0.6704(2) 0.59802(17) 0.0182(4) Uani d . . . 1 . .
N N2 0.4313(2) 0.5422(2) 0.80278(17) 0.0182(4) Uani d . . . 1 . .
P P1 0.57083(7) 0.44531(6) 0.74540(5) 0.01481(12) Uani d . . . 1 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C4 . 1.520(4) ?
C1 C3 . 1.536(4) ?
C1 C2 . 1.542(3) ?
C1 P1 . 1.879(2) ?
C2 H2A . 0.98 ?
C2 H2B . 0.98 ?
C2 H2C . 0.98 ?
C3 H3A . 0.98 ?
C3 H3B . 0.98 ?
C3 H3C . 0.98 ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C5 C8 . 1.534(3) ?
C5 C7 . 1.535(3) ?
C5 C6 . 1.535(3) ?
C5 P1 . 1.874(2) ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 N2 . 1.312(3) ?
C9 N1 . 1.349(3) ?
C9 C10 . 1.495(3) ?
C10 C11 . 1.385(3) ?
C10 C15 . 1.385(4) ?
C11 C12 . 1.387(4) ?
C11 H11 . 0.95 ?
C12 C13 . 1.368(5) ?
C12 H12 . 0.95 ?
C13 C14 . 1.378(5) ?
C13 H13 . 0.95 ?
C14 C15 . 1.396(4) ?
C14 H14 . 0.95 ?
C15 H15 . 0.95 ?
C16 C17 . 1.385(4) ?
C16 C21 . 1.390(4) ?
C16 N1 . 1.431(3) ?
C17 C18 . 1.393(4) ?
C17 H17 . 0.95 ?
C18 C19 . 1.381(4) ?
C18 H18 . 0.95 ?
C19 C20 . 1.373(4) ?
C19 H19 . 0.95 ?
C20 C21 . 1.389(4) ?
C20 H20 . 0.95 ?
C21 H21 . 0.95 ?
Ge1 N1 . 2.0217(19) ?
Ge1 P1 . 2.4512(6) ?
Ge1 Ge1 2_666 2.5854(5) ?
N2 P1 . 1.673(2) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C4 C1 C3 . . 109.2(2) ?
C4 C1 C2 . . 110.5(2) ?
C3 C1 C2 . . 108.6(2) ?
C4 C1 P1 . . 111.72(17) ?
C3 C1 P1 . . 105.19(17) ?
C2 C1 P1 . . 111.42(17) ?
C1 C2 H2A . . 109.5 ?
C1 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
C1 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
C1 C3 H3A . . 109.5 ?
C1 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C1 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
C1 C4 H4A . . 109.5 ?
C1 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C1 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C8 C5 C7 . . 107.4(2) ?
C8 C5 C6 . . 109.5(2) ?
C7 C5 C6 . . 110.5(2) ?
C8 C5 P1 . . 106.28(16) ?
C7 C5 P1 . . 113.78(17) ?
C6 C5 P1 . . 109.23(17) ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C5 C7 H7A . . 109.5 ?
C5 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C5 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C5 C8 H8A . . 109.5 ?
C5 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C5 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
N2 C9 N1 . . 124.3(2) ?
N2 C9 C10 . . 115.66(19) ?
N1 C9 C10 . . 120.0(2) ?
C11 C10 C15 . . 119.0(2) ?
C11 C10 C9 . . 119.2(2) ?
C15 C10 C9 . . 121.8(2) ?
C10 C11 C12 . . 120.4(3) ?
C10 C11 H11 . . 119.8 ?
C12 C11 H11 . . 119.8 ?
C13 C12 C11 . . 120.6(3) ?
C13 C12 H12 . . 119.7 ?
C11 C12 H12 . . 119.7 ?
C12 C13 C14 . . 119.8(3) ?
C12 C13 H13 . . 120.1 ?
C14 C13 H13 . . 120.1 ?
C13 C14 C15 . . 120.1(3) ?
C13 C14 H14 . . 120.0 ?
C15 C14 H14 . . 120.0 ?
C10 C15 C14 . . 120.2(3) ?
C10 C15 H15 . . 119.9 ?
C14 C15 H15 . . 119.9 ?
C17 C16 C21 . . 119.8(2) ?
C17 C16 N1 . . 121.0(2) ?
C21 C16 N1 . . 119.2(2) ?
C16 C17 C18 . . 120.1(3) ?
C16 C17 H17 . . 119.9 ?
C18 C17 H17 . . 119.9 ?
C19 C18 C17 . . 119.6(3) ?
C19 C18 H18 . . 120.2 ?
C17 C18 H18 . . 120.2 ?
C20 C19 C18 . . 120.4(3) ?
C20 C19 H19 . . 119.8 ?
C18 C19 H19 . . 119.8 ?
C19 C20 C21 . . 120.5(3) ?
C19 C20 H20 . . 119.8 ?
C21 C20 H20 . . 119.8 ?
C20 C21 C16 . . 119.6(3) ?
C20 C21 H21 . . 120.2 ?
C16 C21 H21 . . 120.2 ?
N1 Ge1 P1 . . 78.26(5) ?
N1 Ge1 Ge1 . 2_666 93.98(6) ?
P1 Ge1 Ge1 . 2_666 103.661(19) ?
C9 N1 C16 . . 119.67(19) ?
C9 N1 Ge1 . . 120.98(16) ?
C16 N1 Ge1 . . 119.34(14) ?
C9 N2 P1 . . 116.36(16) ?
N2 P1 C5 . . 106.30(11) ?
N2 P1 C1 . . 102.00(10) ?
C5 P1 C1 . . 111.38(11) ?
N2 P1 Ge1 . . 99.90(7) ?
C5 P1 Ge1 . . 103.83(7) ?
C1 P1 Ge1 . . 130.69(8) ?



####################################################################### 
# 
# 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_scw2302s
_database_code_depnum_ccdc_archive 'CCDC 2109348'
loop_
_audit_author_name
_audit_author_address
'Cheuk-Wai So'
;Nanyang Technological University
Singapore
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H80 Ge2 N4 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         992.34

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.8440(6)
_cell_length_b                   12.6688(6)
_cell_length_c                   25.5968(13)
_cell_angle_alpha                90
_cell_angle_beta                 103.500(4)
_cell_angle_gamma                90
_cell_volume                     5311.3(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4485
_cell_measurement_theta_min      3.9276
_cell_measurement_theta_max      66.4521
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2104

_exptl_absorpt_coefficient_mu    2.240
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_T_max  0.98

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec Microfocus Source'
_diffrn_source_type              'Bruker Kappa Duo APEX2'

_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            19270
_diffrn_reflns_av_R_equivalents  0.1058
_diffrn_reflns_av_unetI/netI     0.1325
_diffrn_reflns_theta_min         2.70
_diffrn_reflns_theta_max         66.77
_diffrn_reflns_theta_full        66.77
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       27

_refine_special_details          
;
;

_reflns_number_total             9112
_reflns_number_gt                5260
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1434
_refine_ls_R_factor_gt           0.0888
_refine_ls_wR_factor_gt          0.2180
_refine_ls_wR_factor_ref         0.2473
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_number_reflns         9112
_refine_ls_number_parameters     579
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1002P)²+8.4910P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.064
_refine_diff_density_min         -1.161
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2018)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.3007(6) 0.5620(6) 0.2668(3) 0.036(2) Uani d . . . 1 . .
C C2 0.3869(5) 0.5649(7) 0.2778(4) 0.042(2) Uani d . . . 1 . .
C C3 0.4220(6) 0.6154(7) 0.2399(4) 0.044(2) Uani d . . . 1 . .
H H3 0.479821 0.618841 0.246233 0.053 Uiso calc U . R 1 . .
C C4 0.3755(6) 0.6599(7) 0.1937(4) 0.048(3) Uani d . . . 1 . .
H H4 0.401073 0.694668 0.169102 0.058 Uiso calc U . R 1 . .
C C5 0.2903(6) 0.6536(7) 0.1834(4) 0.040(2) Uani d . . . 1 . .
H H5 0.258029 0.682635 0.151136 0.048 Uiso calc U . R 1 . .
C C6 0.2523(5) 0.6051(6) 0.2201(4) 0.036(2) Uani d . . . 1 . .
C C7 0.1590(5) 0.6009(7) 0.2068(3) 0.0375(19) Uani d . . . 1 . .
H H7 0.142779 0.547335 0.231038 0.045 Uiso calc U . R 1 . .
C C8 0.1227(7) 0.7060(8) 0.2176(5) 0.060(3) Uani d . . . 1 . .
H H8A 0.147927 0.728973 0.254303 0.09 Uiso calc U . R 1 . .
H H8B 0.063716 0.698059 0.213595 0.09 Uiso calc U . R 1 . .
H H8C 0.133057 0.758693 0.192003 0.09 Uiso calc U . R 1 . .
C C9 0.1240(6) 0.5655(8) 0.1492(4) 0.052(2) Uani d . . . 1 . .
H H9A 0.135928 0.618781 0.124374 0.078 Uiso calc U . R 1 . .
H H9B 0.064763 0.556736 0.143312 0.078 Uiso calc U . R 1 . .
H H9C 0.148757 0.498092 0.142879 0.078 Uiso calc U . R 1 . .
C C10 0.4421(6) 0.5098(8) 0.3251(4) 0.051(3) Uani d . . . 1 . .
H H10 0.4073 0.474029 0.346532 0.061 Uiso calc U . R 1 . .
C C11 0.4947(8) 0.4263(11) 0.3061(5) 0.088(5) Uani d . . . 1 . .
H H11A 0.459815 0.380026 0.279738 0.132 Uiso calc U . R 1 . .
H H11B 0.523435 0.384312 0.336916 0.132 Uiso calc U . R 1 . .
H H11C 0.534668 0.461145 0.289539 0.132 Uiso calc U . R 1 . .
C C12 0.4979(6) 0.5901(10) 0.3617(5) 0.065(3) Uani d . . . 1 . .
H H12A 0.529824 0.629139 0.340593 0.097 Uiso calc U . R 1 . .
H H12B 0.534933 0.552583 0.391001 0.097 Uiso calc U . R 1 . .
H H12C 0.464317 0.639598 0.37663 0.097 Uiso calc U . R 1 . .
C C13 0.2208(6) 0.4273(6) 0.2996(3) 0.036(2) Uani d . . . 1 . .
C C14 0.2125(8) 0.3629(7) 0.2489(4) 0.054(3) Uani d . . . 1 . .
C C15 0.2790(9) 0.3321(8) 0.2298(5) 0.074(4) Uani d . . . 1 . .
H H15 0.332932 0.352834 0.247128 0.089 Uiso calc U . R 1 . .
C C16 0.2627(11) 0.2662(10) 0.1817(6) 0.085(5) Uani d . . . 1 . .
H H16 0.30676 0.241432 0.167664 0.102 Uiso calc U . R 1 . .
C C17 0.1843(12) 0.2399(11) 0.1567(6) 0.093(5) Uani d . . . 1 . .
H H17 0.17471 0.198425 0.124975 0.112 Uiso calc U . R 1 . .
C C18 0.1182(11) 0.2725(10) 0.1767(6) 0.087(4) Uani d . . . 1 . .
H H18 0.064109 0.253182 0.158978 0.104 Uiso calc U . R 1 . .
C C19 0.1320(9) 0.3317(8) 0.2216(4) 0.066(3) Uani d . . . 1 . .
H H19 0.087005 0.35343 0.235506 0.079 Uiso calc U . R 1 . .
C C20 0.2486(6) 0.3592(7) 0.4452(4) 0.040(2) Uani d . . . 1 . .
C C21 0.3248(6) 0.3313(8) 0.4254(5) 0.052(3) Uani d . . . 1 . .
H H21A 0.356907 0.278538 0.449363 0.078 Uiso calc U . R 1 . .
H H21B 0.357812 0.394898 0.425174 0.078 Uiso calc U . R 1 . .
H H21C 0.30859 0.302468 0.388906 0.078 Uiso calc U . R 1 . .
C C22 0.2035(6) 0.2563(8) 0.4511(4) 0.050(2) Uani d . . . 1 . .
H H22A 0.180211 0.226643 0.415482 0.075 Uiso calc U . R 1 . .
H H22B 0.15963 0.270815 0.469394 0.075 Uiso calc U . R 1 . .
H H22C 0.241928 0.205626 0.472303 0.075 Uiso calc U . R 1 . .
C C23 0.2737(6) 0.4166(9) 0.4988(4) 0.054(3) Uani d . . . 1 . .
H H23A 0.225033 0.432576 0.512187 0.081 Uiso calc U . R 1 . .
H H23B 0.301614 0.482508 0.494002 0.081 Uiso calc U . R 1 . .
H H23C 0.310643 0.371699 0.524845 0.081 Uiso calc U . R 1 . .
C C24 0.0789(6) 0.4575(7) 0.3963(4) 0.048(2) Uani d . . . 1 . .
C C25 0.0314(6) 0.3581(8) 0.3752(4) 0.049(2) Uani d . . . 1 . .
H H25A 0.049171 0.299988 0.400509 0.074 Uiso calc U . R 1 . .
H H25B 0.041609 0.339543 0.340168 0.074 Uiso calc U . R 1 . .
H H25C -0.027052 0.370712 0.371342 0.074 Uiso calc U . R 1 . .
C C26 0.0715(7) 0.4826(9) 0.4530(5) 0.061(3) Uani d . . . 1 . .
H H26A 0.014335 0.497203 0.452759 0.091 Uiso calc U . R 1 . .
H H26B 0.104913 0.54457 0.466362 0.091 Uiso calc U . R 1 . .
H H26C 0.090638 0.422085 0.476431 0.091 Uiso calc U . R 1 . .
C C27 0.0433(6) 0.5497(8) 0.3603(5) 0.057(3) Uani d . . . 1 . .
H H27A -0.016094 0.550977 0.355624 0.085 Uiso calc U . R 1 . .
H H27B 0.05652 0.541636 0.325202 0.085 Uiso calc U . R 1 . .
H H27C 0.066639 0.61591 0.376912 0.085 Uiso calc U . R 1 . .
C C28 0.2427(5) 0.7658(6) 0.4931(3) 0.0288(17) Uani d . . . 1 . .
C C29 0.3137(5) 0.7195(6) 0.5247(4) 0.036(2) Uani d . . . 1 . .
C C30 0.3051(6) 0.6594(6) 0.5683(4) 0.037(2) Uani d . . . 1 . .
H H30 0.351881 0.625345 0.589591 0.045 Uiso calc U . R 1 . .
C C31 0.2314(6) 0.6475(6) 0.5819(4) 0.039(2) Uani d . . . 1 . .
H H31 0.227895 0.606452 0.612332 0.047 Uiso calc U . R 1 . .
C C32 0.1627(5) 0.6951(7) 0.5514(4) 0.041(2) Uani d . . . 1 . .
H H32 0.112152 0.686328 0.561303 0.049 Uiso calc U . R 1 . .
C C33 0.1653(5) 0.7554(6) 0.5068(4) 0.038(2) Uani d . . . 1 . .
C C34 0.0884(5) 0.8089(7) 0.4739(4) 0.045(2) Uani d . . . 1 . .
H H34 0.087846 0.798282 0.435143 0.053 Uiso calc U . R 1 . .
C C35 0.0891(6) 0.9295(7) 0.4840(4) 0.049(2) Uani d . . . 1 . .
H H35A 0.039467 0.961007 0.461795 0.074 Uiso calc U . R 1 . .
H H35B 0.137121 0.960836 0.474707 0.074 Uiso calc U . R 1 . .
H H35C 0.091064 0.942806 0.522044 0.074 Uiso calc U . R 1 . .
C C36 0.0086(6) 0.7650(9) 0.4830(5) 0.059(3) Uani d . . . 1 . .
H H36A 0.00702 0.688407 0.477304 0.088 Uiso calc U . R 1 . .
H H36B -0.037417 0.797845 0.457574 0.088 Uiso calc U . R 1 . .
H H36C 0.004644 0.780327 0.519797 0.088 Uiso calc U . R 1 . .
C C37 0.3989(5) 0.7348(7) 0.5143(4) 0.041(2) Uani d . . . 1 . .
H H37 0.393872 0.778614 0.4812 0.049 Uiso calc U . R 1 . .
C C38 0.4398(5) 0.6295(7) 0.5063(4) 0.040(2) Uani d . . . 1 . .
H H38A 0.449634 0.588503 0.539613 0.061 Uiso calc U . R 1 . .
H H38B 0.491875 0.643385 0.496701 0.061 Uiso calc U . R 1 . .
H H38C 0.403954 0.589567 0.47733 0.061 Uiso calc U . R 1 . .
C C39 0.4549(6) 0.7930(7) 0.5619(4) 0.043(2) Uani d . . . 1 . .
H H39A 0.429384 0.859835 0.568291 0.064 Uiso calc U . R 1 . .
H H39B 0.507729 0.807186 0.553553 0.064 Uiso calc U . R 1 . .
H H39C 0.463033 0.748901 0.594213 0.064 Uiso calc U . R 1 . .
C C40 0.2849(5) 0.9196(7) 0.4470(4) 0.036(2) Uani d . . . 1 . .
C C41 0.3209(5) 0.9775(6) 0.4974(4) 0.035(2) Uani d . . . 1 . .
C C42 0.2913(6) 0.9781(7) 0.5442(4) 0.042(2) Uani d . . . 1 . .
H H42 0.245911 0.934912 0.545924 0.05 Uiso calc U . R 1 . .
C C43 0.3262(6) 1.0394(7) 0.5873(4) 0.043(2) Uani d . . . 1 . .
H H43 0.303657 1.041129 0.617995 0.052 Uiso calc U . R 1 . .
C C44 0.3944(6) 1.0988(8) 0.5861(4) 0.046(2) Uani d . . . 1 . .
H H44 0.419056 1.140859 0.616256 0.055 Uiso calc U . R 1 . .
C C45 0.4271(6) 1.0977(7) 0.5417(4) 0.045(2) Uani d . . . 1 . .
H H45 0.474574 1.137949 0.541289 0.053 Uiso calc U . R 1 . .
C C46 0.3907(5) 1.0382(7) 0.4979(4) 0.039(2) Uani d . . . 1 . .
H H46 0.413266 1.038055 0.467135 0.046 Uiso calc U . R 1 . .
C C47 0.1632(7) 1.0094(7) 0.3148(5) 0.050(3) Uani d . . . 1 . .
C C48 0.1140(7) 1.0228(8) 0.3582(5) 0.055(3) Uani d . . . 1 . .
H H48A 0.069095 1.072609 0.345411 0.082 Uiso calc U . R 1 . .
H H48B 0.149822 1.050083 0.391224 0.082 Uiso calc U . R 1 . .
H H48C 0.091715 0.954381 0.365479 0.082 Uiso calc U . R 1 . .
C C49 0.1947(8) 1.1184(8) 0.3032(5) 0.064(3) Uani d . . . 1 . .
H H49A 0.148778 1.167834 0.293902 0.097 Uiso calc U . R 1 . .
H H49B 0.221246 1.113066 0.273035 0.097 Uiso calc U . R 1 . .
H H49C 0.234126 1.143989 0.33507 0.097 Uiso calc U . R 1 . .
C C50 0.1050(7) 0.9643(10) 0.2641(5) 0.067(3) Uani d . . . 1 . .
H H50A 0.088078 0.892994 0.27156 0.101 Uiso calc U . R 1 . .
H H50B 0.133207 0.961622 0.234661 0.101 Uiso calc U . R 1 . .
H H50C 0.056785 1.009741 0.25375 0.101 Uiso calc U . R 1 . .
C C51 0.3318(6) 0.9245(7) 0.3068(4) 0.044(2) Uani d . . . 1 . .
C C52 0.3826(7) 1.0256(8) 0.3191(4) 0.060(3) Uani d . . . 1 . .
H H52A 0.397186 1.03764 0.357955 0.09 Uiso calc U . R 1 . .
H H52B 0.350729 1.085574 0.301196 0.09 Uiso calc U . R 1 . .
H H52C 0.432483 1.018252 0.305874 0.09 Uiso calc U . R 1 . .
C C53 0.2991(7) 0.9123(9) 0.2456(5) 0.063(3) Uani d . . . 1 . .
H H53A 0.345053 0.906319 0.22836 0.095 Uiso calc U . R 1 . .
H H53B 0.266111 0.974132 0.231426 0.095 Uiso calc U . R 1 . .
H H53C 0.265291 0.848584 0.238186 0.095 Uiso calc U . R 1 . .
C C54 0.3863(6) 0.8310(8) 0.3270(4) 0.052(3) Uani d . . . 1 . .
H H54A 0.435426 0.834813 0.312721 0.077 Uiso calc U . R 1 . .
H H54B 0.356846 0.765467 0.314888 0.077 Uiso calc U . R 1 . .
H H54C 0.401971 0.832347 0.366311 0.077 Uiso calc U . R 1 . .
Ge Ge1 0.28173(6) 0.59367(7) 0.38061(4) 0.0337(3) Uani d . . . 1 . .
Ge Ge2 0.18568(6) 0.76191(7) 0.37171(4) 0.0362(3) Uani d . . . 1 . .
N N1 0.2631(4) 0.5191(5) 0.3072(3) 0.0299(15) Uani d . . . 1 . .
N N2 0.1810(5) 0.3870(5) 0.3333(3) 0.0413(18) Uani d . . . 1 . .
N N3 0.2447(4) 0.8240(5) 0.4450(3) 0.0311(15) Uani d . . . 1 . .
N N4 0.2925(5) 0.9683(5) 0.4038(3) 0.0392(17) Uani d . . . 1 . .
P P1 0.18939(14) 0.45043(16) 0.39182(9) 0.0333(5) Uani d . . . 1 . .
P P2 0.24896(15) 0.91690(16) 0.34372(10) 0.0378(5) Uani d . . . 1 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C6 . 1.391(13) ?
C1 C2 . 1.413(13) ?
C1 N1 . 1.442(9) ?
C2 C3 . 1.404(12) ?
C2 C10 . 1.514(14) ?
C3 C4 . 1.377(14) ?
C3 H3 . 0.95 ?
C4 C5 . 1.400(13) ?
C4 H4 . 0.95 ?
C5 C6 . 1.398(11) ?
C5 H5 . 0.95 ?
C6 C7 . 1.529(12) ?
C7 C8 . 1.517(13) ?
C7 C9 . 1.521(13) ?
C7 H7 . 1.0 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C11 . 1.531(13) ?
C10 C12 . 1.544(16) ?
C10 H10 . 1.0 ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C13 N2 . 1.314(10) ?
C13 N1 . 1.353(10) ?
C13 C14 . 1.512(12) ?
C14 C15 . 1.379(15) ?
C14 C19 . 1.428(17) ?
C15 C16 . 1.460(18) ?
C15 H15 . 0.95 ?
C16 C17 . 1.37(2) ?
C16 H16 . 0.95 ?
C17 C18 . 1.39(2) ?
C17 H17 . 0.95 ?
C18 C19 . 1.346(17) ?
C18 H18 . 0.95 ?
C19 H19 . 0.95 ?
C20 C23 . 1.524(14) ?
C20 C21 . 1.528(11) ?
C20 C22 . 1.533(12) ?
C20 P1 . 1.887(10) ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 C26 . 1.519(14) ?
C24 C27 . 1.521(14) ?
C24 C25 . 1.521(13) ?
C24 P1 . 1.893(10) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
C28 C29 . 1.404(12) ?
C28 C33 . 1.433(10) ?
C28 N3 . 1.444(9) ?
C29 C30 . 1.387(12) ?
C29 C37 . 1.533(11) ?
C30 C31 . 1.374(11) ?
C30 H30 . 0.95 ?
C31 C32 . 1.374(13) ?
C31 H31 . 0.95 ?
C32 C33 . 1.384(13) ?
C32 H32 . 0.95 ?
C33 C34 . 1.527(13) ?
C34 C36 . 1.523(11) ?
C34 C35 . 1.548(13) ?
C34 H34 . 1.0 ?
C35 H35A . 0.98 ?
C35 H35B . 0.98 ?
C35 H35C . 0.98 ?
C36 H36A . 0.98 ?
C36 H36B . 0.98 ?
C36 H36C . 0.98 ?
C37 C38 . 1.537(11) ?
C37 C39 . 1.543(14) ?
C37 H37 . 1.0 ?
C38 H38A . 0.98 ?
C38 H38B . 0.98 ?
C38 H38C . 0.98 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
C40 N4 . 1.300(11) ?
C40 N3 . 1.383(11) ?
C40 C41 . 1.484(13) ?
C41 C42 . 1.400(12) ?
C41 C46 . 1.402(11) ?
C42 C43 . 1.365(14) ?
C42 H42 . 0.95 ?
C43 C44 . 1.380(13) ?
C43 H43 . 0.95 ?
C44 C45 . 1.374(12) ?
C44 H44 . 0.95 ?
C45 C46 . 1.372(13) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C49 . 1.533(13) ?
C47 C48 . 1.542(14) ?
C47 C50 . 1.543(16) ?
C47 P2 . 1.873(11) ?
C48 H48A . 0.98 ?
C48 H48B . 0.98 ?
C48 H48C . 0.98 ?
C49 H49A . 0.98 ?
C49 H49B . 0.98 ?
C49 H49C . 0.98 ?
C50 H50A . 0.98 ?
C50 H50B . 0.98 ?
C50 H50C . 0.98 ?
C51 C54 . 1.513(14) ?
C51 C52 . 1.532(13) ?
C51 C53 . 1.542(15) ?
C51 P2 . 1.861(9) ?
C52 H52A . 0.98 ?
C52 H52B . 0.98 ?
C52 H52C . 0.98 ?
C53 H53A . 0.98 ?
C53 H53B . 0.98 ?
C53 H53C . 0.98 ?
C54 H54A . 0.98 ?
C54 H54B . 0.98 ?
C54 H54C . 0.98 ?
Ge1 N1 . 2.060(6) ?
Ge1 P1 . 2.450(2) ?
Ge1 Ge2 . 2.6533(13) ?
Ge2 N3 . 2.062(7) ?
Ge2 P2 . 2.421(2) ?
N2 P1 . 1.676(8) ?
N4 P2 . 1.673(8) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 C1 C2 . . 122.1(7) ?
C6 C1 N1 . . 119.8(8) ?
C2 C1 N1 . . 118.0(8) ?
C3 C2 C1 . . 116.9(9) ?
C3 C2 C10 . . 118.9(8) ?
C1 C2 C10 . . 124.0(7) ?
C4 C3 C2 . . 122.2(9) ?
C4 C3 H3 . . 118.9 ?
C2 C3 H3 . . 118.9 ?
C3 C4 C5 . . 119.4(8) ?
C3 C4 H4 . . 120.3 ?
C5 C4 H4 . . 120.3 ?
C6 C5 C4 . . 120.6(9) ?
C6 C5 H5 . . 119.7 ?
C4 C5 H5 . . 119.7 ?
C1 C6 C5 . . 118.8(8) ?
C1 C6 C7 . . 123.0(7) ?
C5 C6 C7 . . 118.3(8) ?
C8 C7 C9 . . 110.7(8) ?
C8 C7 C6 . . 111.4(8) ?
C9 C7 C6 . . 111.9(7) ?
C8 C7 H7 . . 107.5 ?
C9 C7 H7 . . 107.5 ?
C6 C7 H7 . . 107.5 ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C2 C10 C11 . . 111.0(9) ?
C2 C10 C12 . . 110.8(8) ?
C11 C10 C12 . . 109.4(9) ?
C2 C10 H10 . . 108.5 ?
C11 C10 H10 . . 108.5 ?
C12 C10 H10 . . 108.5 ?
C10 C11 H11A . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C10 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C10 C12 H12A . . 109.5 ?
C10 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C10 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N2 C13 N1 . . 124.8(7) ?
N2 C13 C14 . . 113.3(7) ?
N1 C13 C14 . . 121.9(7) ?
C15 C14 C19 . . 120.4(11) ?
C15 C14 C13 . . 122.4(11) ?
C19 C14 C13 . . 117.1(9) ?
C14 C15 C16 . . 116.9(13) ?
C14 C15 H15 . . 121.6 ?
C16 C15 H15 . . 121.6 ?
C17 C16 C15 . . 120.3(13) ?
C17 C16 H16 . . 119.9 ?
C15 C16 H16 . . 119.9 ?
C16 C17 C18 . . 121.6(13) ?
C16 C17 H17 . . 119.2 ?
C18 C17 H17 . . 119.2 ?
C19 C18 C17 . . 119.0(16) ?
C19 C18 H18 . . 120.5 ?
C17 C18 H18 . . 120.5 ?
C18 C19 C14 . . 121.8(13) ?
C18 C19 H19 . . 119.1 ?
C14 C19 H19 . . 119.1 ?
C23 C20 C21 . . 109.3(8) ?
C23 C20 C22 . . 110.9(8) ?
C21 C20 C22 . . 108.1(8) ?
C23 C20 P1 . . 110.4(7) ?
C21 C20 P1 . . 104.1(6) ?
C22 C20 P1 . . 113.7(7) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C20 C22 H22A . . 109.5 ?
C20 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C20 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C20 C23 H23A . . 109.5 ?
C20 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C20 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C26 C24 C27 . . 108.0(9) ?
C26 C24 C25 . . 111.0(7) ?
C27 C24 C25 . . 108.7(9) ?
C26 C24 P1 . . 111.6(8) ?
C27 C24 P1 . . 104.7(6) ?
C25 C24 P1 . . 112.5(6) ?
C24 C25 H25A . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C24 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C24 C26 H26A . . 109.5 ?
C24 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C24 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C24 C27 H27A . . 109.5 ?
C24 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C29 C28 C33 . . 121.5(7) ?
C29 C28 N3 . . 121.2(6) ?
C33 C28 N3 . . 117.3(7) ?
C30 C29 C28 . . 117.3(7) ?
C30 C29 C37 . . 119.1(8) ?
C28 C29 C37 . . 123.6(7) ?
C31 C30 C29 . . 122.2(9) ?
C31 C30 H30 . . 118.9 ?
C29 C30 H30 . . 118.9 ?
C30 C31 C32 . . 120.0(8) ?
C30 C31 H31 . . 120.0 ?
C32 C31 H31 . . 120.0 ?
C31 C32 C33 . . 121.8(7) ?
C31 C32 H32 . . 119.1 ?
C33 C32 H32 . . 119.1 ?
C32 C33 C28 . . 117.2(8) ?
C32 C33 C34 . . 120.9(7) ?
C28 C33 C34 . . 121.9(8) ?
C36 C34 C33 . . 114.8(8) ?
C36 C34 C35 . . 107.9(7) ?
C33 C34 C35 . . 112.0(8) ?
C36 C34 H34 . . 107.3 ?
C33 C34 H34 . . 107.3 ?
C35 C34 H34 . . 107.3 ?
C34 C35 H35A . . 109.5 ?
C34 C35 H35B . . 109.5 ?
H35A C35 H35B . . 109.5 ?
C34 C35 H35C . . 109.5 ?
H35A C35 H35C . . 109.5 ?
H35B C35 H35C . . 109.5 ?
C34 C36 H36A . . 109.5 ?
C34 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
C34 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
C29 C37 C38 . . 112.4(7) ?
C29 C37 C39 . . 110.3(7) ?
C38 C37 C39 . . 108.1(8) ?
C29 C37 H37 . . 108.7 ?
C38 C37 H37 . . 108.7 ?
C39 C37 H37 . . 108.7 ?
C37 C38 H38A . . 109.5 ?
C37 C38 H38B . . 109.5 ?
H38A C38 H38B . . 109.5 ?
C37 C38 H38C . . 109.5 ?
H38A C38 H38C . . 109.5 ?
H38B C38 H38C . . 109.5 ?
C37 C39 H39A . . 109.5 ?
C37 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C37 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
N4 C40 N3 . . 121.8(8) ?
N4 C40 C41 . . 113.8(7) ?
N3 C40 C41 . . 124.3(7) ?
C42 C41 C46 . . 117.1(9) ?
C42 C41 C40 . . 126.1(8) ?
C46 C41 C40 . . 116.8(7) ?
C43 C42 C41 . . 121.5(8) ?
C43 C42 H42 . . 119.3 ?
C41 C42 H42 . . 119.3 ?
C42 C43 C44 . . 119.7(8) ?
C42 C43 H43 . . 120.1 ?
C44 C43 H43 . . 120.1 ?
C45 C44 C43 . . 120.6(9) ?
C45 C44 H44 . . 119.7 ?
C43 C44 H44 . . 119.7 ?
C46 C45 C44 . . 119.5(8) ?
C46 C45 H45 . . 120.2 ?
C44 C45 H45 . . 120.2 ?
C45 C46 C41 . . 121.5(8) ?
C45 C46 H46 . . 119.3 ?
C41 C46 H46 . . 119.3 ?
C49 C47 C48 . . 108.0(8) ?
C49 C47 C50 . . 110.5(10) ?
C48 C47 C50 . . 107.7(9) ?
C49 C47 P2 . . 111.8(8) ?
C48 C47 P2 . . 106.2(7) ?
C50 C47 P2 . . 112.4(7) ?
C47 C48 H48A . . 109.5 ?
C47 C48 H48B . . 109.5 ?
H48A C48 H48B . . 109.5 ?
C47 C48 H48C . . 109.5 ?
H48A C48 H48C . . 109.5 ?
H48B C48 H48C . . 109.5 ?
C47 C49 H49A . . 109.5 ?
C47 C49 H49B . . 109.5 ?
H49A C49 H49B . . 109.5 ?
C47 C49 H49C . . 109.5 ?
H49A C49 H49C . . 109.5 ?
H49B C49 H49C . . 109.5 ?
C47 C50 H50A . . 109.5 ?
C47 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
C47 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
C54 C51 C52 . . 108.6(9) ?
C54 C51 C53 . . 108.2(8) ?
C52 C51 C53 . . 110.0(8) ?
C54 C51 P2 . . 104.7(6) ?
C52 C51 P2 . . 112.9(6) ?
C53 C51 P2 . . 112.2(7) ?
C51 C52 H52A . . 109.5 ?
C51 C52 H52B . . 109.5 ?
H52A C52 H52B . . 109.5 ?
C51 C52 H52C . . 109.5 ?
H52A C52 H52C . . 109.5 ?
H52B C52 H52C . . 109.5 ?
C51 C53 H53A . . 109.5 ?
C51 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
C51 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
C51 C54 H54A . . 109.5 ?
C51 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C51 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
N1 Ge1 P1 . . 78.52(18) ?
N1 Ge1 Ge2 . . 109.3(2) ?
P1 Ge1 Ge2 . . 102.36(6) ?
N3 Ge2 P2 . . 78.92(18) ?
N3 Ge2 Ge1 . . 94.22(19) ?
P2 Ge2 Ge1 . . 112.03(6) ?
C13 N1 C1 . . 121.7(6) ?
C13 N1 Ge1 . . 119.3(5) ?
C1 N1 Ge1 . . 118.9(5) ?
C13 N2 P1 . . 116.9(6) ?
C40 N3 C28 . . 121.6(7) ?
C40 N3 Ge2 . . 119.8(5) ?
C28 N3 Ge2 . . 118.7(5) ?
C40 N4 P2 . . 119.3(6) ?
N2 P1 C20 . . 105.8(4) ?
N2 P1 C24 . . 101.4(4) ?
C20 P1 C24 . . 110.2(4) ?
N2 P1 Ge1 . . 100.0(2) ?
C20 P1 Ge1 . . 107.2(3) ?
C24 P1 Ge1 . . 129.2(3) ?
N4 P2 C51 . . 103.1(4) ?
N4 P2 C47 . . 104.6(4) ?
C51 P2 C47 . . 111.6(5) ?
N4 P2 Ge2 . . 99.9(3) ?
C51 P2 Ge2 . . 128.8(3) ?
C47 P2 Ge2 . . 105.8(3) ?



####################################################################### 
# 
# 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_scw2310s
_database_code_depnum_ccdc_archive 'CCDC 2109350'
loop_
_audit_author_name
_audit_author_address
'Cheuk-Wai So'
;Nanyang Technological University
Singapore
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H80 Ge2 N4 O2 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1036.35
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 n 1'
_space_group_name_Hall           'P -2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z+1/2'

_cell_length_a                   13.5796(14)
_cell_length_b                   13.6534(15)
_cell_length_c                   15.0168(17)
_cell_angle_alpha                90
_cell_angle_beta                 94.063(6)
_cell_angle_gamma                90
_cell_volume                     2777.2(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9692
_cell_measurement_theta_min      4.2425
_cell_measurement_theta_max      67.8449
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1096

_exptl_absorpt_coefficient_mu    2.192
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_T_max  0.81

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec Microfocus Source'
_diffrn_source_type              'Bruker Kappa Duo APEX2'

_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            33072
_diffrn_reflns_av_R_equivalents  0.0894
_diffrn_reflns_av_unetI/netI     0.0993
_diffrn_reflns_theta_min         3.24
_diffrn_reflns_theta_max         68.11
_diffrn_reflns_theta_full        68.11
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17

_refine_special_details          
;
;

_reflns_number_total             9654
_reflns_number_gt                8640
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1575
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.026
_refine_ls_number_reflns         9654
_refine_ls_number_parameters     586
_refine_ls_number_restraints     141
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0729P)²+2.4504P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.755
_refine_diff_density_min         -0.768
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 3586 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.13(2)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2018)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.6773(3) 0.9406(3) 0.3756(2) 0.0213(13) Uani d . . G 1.0 . .
C C2 0.6204(3) 1.0205(3) 0.3974(2) 0.0266(15) Uani d . . G 1.0 . .
C C3 0.5732(3) 1.0771(3) 0.3302(3) 0.0294(15) Uani d . . G 1.0 . .
H H3 0.534341 1.131694 0.345163 0.035 Uiso calc U . R 1.0 . .
C C4 0.5830(4) 1.0537(3) 0.2412(3) 0.0331(16) Uani d . . G 1.0 . .
H H4 0.550789 1.092312 0.195289 0.04 Uiso calc U . R 1.0 . .
C C5 0.6399(4) 0.9737(4) 0.2194(2) 0.0323(16) Uani d . . G 1.0 . .
H H5 0.646588 0.957732 0.158511 0.039 Uiso calc U . R 1.0 . .
C C6 0.6870(3) 0.9172(3) 0.2865(3) 0.0238(14) Uani d . . G 1.0 . .
C C7 0.7519(5) 0.8314(6) 0.2561(5) 0.0268(15) Uani d . . . 1.0 . .
H H7 0.789068 0.804152 0.31044 0.032 Uiso calc U . R 1.0 . .
C C8 0.6884(7) 0.7493(6) 0.2139(6) 0.036(2) Uani d . . . 1.0 . .
H H8A 0.654296 0.772814 0.158252 0.054 Uiso calc U . R 1.0 . .
H H8B 0.639587 0.728921 0.255229 0.054 Uiso calc U . R 1.0 . .
H H8C 0.730443 0.69348 0.201032 0.054 Uiso calc U . R 1.0 . .
C C9 0.8276(6) 0.8645(7) 0.1914(5) 0.0365(18) Uani d . . . 1.0 . .
H H9A 0.874244 0.811153 0.18271 0.055 Uiso calc U . R 1.0 . .
H H9B 0.863618 0.921688 0.216162 0.055 Uiso calc U . R 1.0 . .
H H9C 0.793472 0.881958 0.133894 0.055 Uiso calc U . R 1.0 . .
C C10 0.6098(6) 1.0547(7) 0.4950(5) 0.0331(18) Uani d . . . 1.0 . .
H H10 0.647207 1.006854 0.534865 0.04 Uiso calc U . R 1.0 . .
C C11 0.6545(8) 1.1521(7) 0.5132(6) 0.046(2) Uani d . . . 1.0 . .
H H11A 0.724119 1.150629 0.499958 0.069 Uiso calc U . R 1.0 . .
H H11B 0.649521 1.168872 0.576136 0.069 Uiso calc U . R 1.0 . .
H H11C 0.619414 1.201275 0.475456 0.069 Uiso calc U . R 1.0 . .
C C12 0.5012(9) 1.0504(11) 0.5183(9) 0.071(3) Uani d . . . 1.0 . .
H H12A 0.497103 1.066007 0.581667 0.107 Uiso calc U . R 1.0 . .
H H12B 0.475018 0.984427 0.50637 0.107 Uiso calc U . R 1.0 . .
H H12C 0.462324 1.098001 0.481833 0.107 Uiso calc U . R 1.0 . .
C C13 0.7966(4) 0.9011(5) 0.5023(4) 0.0170(12) Uani d . . . 1.0 . .
C C14 0.8608(3) 0.9869(3) 0.4858(2) 0.0207(13) Uani d . . G 1.0 . .
C C15 0.8867(3) 1.0098(3) 0.4004(2) 0.0230(13) Uani d . . G 1.0 . .
H H15 0.857704 0.975064 0.350353 0.028 Uiso calc U . R 1.0 . .
C C16 0.9552(3) 1.0834(3) 0.3882(2) 0.0291(15) Uani d . . G 1.0 . .
H H16 0.972907 1.099014 0.329763 0.035 Uiso calc U . R 1.0 . .
C C17 0.9976(3) 1.1342(3) 0.4614(3) 0.0351(17) Uani d . . G 1.0 . .
H H17 1.044408 1.184489 0.453013 0.042 Uiso calc U . R 1.0 . .
C C18 0.9717(3) 1.1113(3) 0.5468(3) 0.0370(17) Uani d . . G 1.0 . .
H H18 1.000707 1.146015 0.596854 0.044 Uiso calc U . R 1.0 . .
C C19 0.9032(3) 1.0377(4) 0.5590(2) 0.0289(14) Uani d . . G 1.0 . .
H H19 0.885504 1.022065 0.617447 0.035 Uiso calc U . R 1.0 . .
C C20 0.8437(6) 0.6476(6) 0.5989(5) 0.0302(17) Uani d . . . 1.0 . .
C C21 0.8926(6) 0.6515(7) 0.5107(6) 0.0342(18) Uani d . . . 1.0 . .
H H21A 0.92849 0.713417 0.506696 0.051 Uiso calc U . R 1.0 . .
H H21B 0.842022 0.646822 0.461062 0.051 Uiso calc U . R 1.0 . .
H H21C 0.938903 0.596663 0.507771 0.051 Uiso calc U . R 1.0 . .
C C22 0.7845(8) 0.5523(7) 0.6001(7) 0.050(2) Uani d . . . 1.0 . .
H H22A 0.731945 0.553459 0.551966 0.074 Uiso calc U . R 1.0 . .
H H22B 0.755326 0.545897 0.6577 0.074 Uiso calc U . R 1.0 . .
H H22C 0.828384 0.496631 0.591615 0.074 Uiso calc U . R 1.0 . .
C C23 0.9238(9) 0.6506(9) 0.6742(6) 0.061(3) Uani d . . . 1.0 . .
H H23A 0.973526 0.600585 0.664316 0.091 Uiso calc U . R 1.0 . .
H H23B 0.89468 0.637917 0.731004 0.091 Uiso calc U . R 1.0 . .
H H23C 0.954899 0.715431 0.676214 0.091 Uiso calc U . R 1.0 . .
C C24 0.7184(7) 0.7841(7) 0.7131(6) 0.046(2) Uani d . . . 1.0 . .
C C25 0.8048(7) 0.8242(7) 0.7763(6) 0.049(2) Uani d . . . 1.0 . .
H H25A 0.779035 0.847685 0.831751 0.073 Uiso calc U . R 1.0 . .
H H25B 0.837023 0.878454 0.746931 0.073 Uiso calc U . R 1.0 . .
H H25C 0.852939 0.771896 0.789959 0.073 Uiso calc U . R 1.0 . .
C C26 0.6736(8) 0.6933(7) 0.7569(6) 0.057(2) Uani d . . . 1.0 . .
H H26A 0.723608 0.641624 0.764205 0.085 Uiso calc U . R 1.0 . .
H H26B 0.617118 0.669357 0.718724 0.085 Uiso calc U . R 1.0 . .
H H26C 0.651592 0.711331 0.815451 0.085 Uiso calc U . R 1.0 . .
C C27 0.6412(8) 0.8666(7) 0.6953(7) 0.052(2) Uani d . . . 1.0 . .
H H27A 0.586236 0.842071 0.655618 0.079 Uiso calc U . R 1.0 . .
H H27B 0.672151 0.922271 0.666964 0.079 Uiso calc U . R 1.0 . .
H H27C 0.616348 0.887661 0.751894 0.079 Uiso calc U . R 1.0 . .
C C28 0.4911(10) 0.7219(11) 0.5412(10) 0.022(3) Uani d U P D 0.664(18) A 1
O O1 0.5354(7) 0.7945(7) 0.5006(6) 0.026(2) Uani d U P D 0.664(18) A 1
O O2 0.5347(5) 0.6496(6) 0.5648(6) 0.035(2) Uani d U P D 0.664(18) A 1
C C28A 0.5174(14) 0.780(2) 0.477(2) 0.025(4) Uani d U P D 0.336(18) A 2
O O1A 0.4721(12) 0.7074(14) 0.5163(14) 0.026(4) Uani d U P D 0.336(18) A 2
O O2A 0.4738(11) 0.8527(10) 0.4562(14) 0.041(5) Uani d U P D 0.336(18) A 2
C C29 0.3268(3) 0.5560(3) 0.6343(2) 0.0200(13) Uani d . . G 1.0 . .
C C30 0.3119(3) 0.5745(3) 0.7234(3) 0.0258(15) Uani d . . G 1.0 . .
C C31 0.3542(4) 0.5137(4) 0.7898(2) 0.0316(16) Uani d . . G 1.0 . .
H H31 0.343953 0.526358 0.85062 0.038 Uiso calc U . R 1.0 . .
C C32 0.4114(4) 0.4343(4) 0.7671(3) 0.0380(18) Uani d . . G 1.0 . .
H H32 0.440285 0.392715 0.812446 0.046 Uiso calc U . R 1.0 . .
C C33 0.4263(4) 0.4157(3) 0.6780(3) 0.0306(16) Uani d . . G 1.0 . .
H H33 0.46542 0.361478 0.662529 0.037 Uiso calc U . R 1.0 . .
C C34 0.3840(3) 0.4766(3) 0.6116(2) 0.0203(13) Uani d . . G 1.0 . .
C C35 0.3982(6) 0.4481(6) 0.5143(5) 0.0349(18) Uani d . . . 1.0 . .
H H35 0.366964 0.499816 0.474454 0.042 Uiso calc U . R 1.0 . .
C C36 0.5045(10) 0.4391(10) 0.4948(8) 0.068(3) Uani d . . . 1.0 . .
H H36A 0.538829 0.500712 0.509752 0.102 Uiso calc U . R 1.0 . .
H H36B 0.508973 0.424797 0.431237 0.102 Uiso calc U . R 1.0 . .
H H36C 0.535338 0.385865 0.530592 0.102 Uiso calc U . R 1.0 . .
C C37 0.3446(8) 0.3483(7) 0.4919(6) 0.049(2) Uani d . . . 1.0 . .
H H37A 0.352821 0.330852 0.429514 0.074 Uiso calc U . R 1.0 . .
H H37B 0.274181 0.354739 0.500984 0.074 Uiso calc U . R 1.0 . .
H H37C 0.373485 0.296866 0.531112 0.074 Uiso calc U . R 1.0 . .
C C38 0.2470(5) 0.6591(6) 0.7520(5) 0.0280(16) Uani d . . . 1.0 . .
H H38 0.213792 0.688951 0.696998 0.034 Uiso calc U . R 1.0 . .
C C39 0.1661(6) 0.6255(7) 0.8125(5) 0.0389(19) Uani d . . . 1.0 . .
H H39A 0.126731 0.573397 0.782539 0.058 Uiso calc U . R 1.0 . .
H H39B 0.12324 0.681034 0.824381 0.058 Uiso calc U . R 1.0 . .
H H39C 0.196998 0.600692 0.86904 0.058 Uiso calc U . R 1.0 . .
C C40 0.3083(7) 0.7389(7) 0.8016(6) 0.038(2) Uani d . . . 1.0 . .
H H40A 0.339135 0.712075 0.857295 0.057 Uiso calc U . R 1.0 . .
H H40B 0.265292 0.793776 0.815114 0.057 Uiso calc U . R 1.0 . .
H H40C 0.359679 0.76195 0.763968 0.057 Uiso calc U . R 1.0 . .
C C41 0.2168(5) 0.6033(5) 0.5031(4) 0.0191(13) Uani d . . . 1.0 . .
C C42 0.1490(3) 0.5166(3) 0.5121(2) 0.0203(13) Uani d . . G 1.0 . .
C C43 0.1075(3) 0.4742(3) 0.4340(2) 0.0271(14) Uani d . . G 1.0 . .
H H43 0.128841 0.493944 0.377851 0.033 Uiso calc U . R 1.0 . .
C C44 0.0349(3) 0.4030(3) 0.4381(3) 0.0368(18) Uani d . . G 1.0 . .
H H44 0.006517 0.374023 0.384798 0.044 Uiso calc U . R 1.0 . .
C C45 0.0036(3) 0.3741(3) 0.5203(3) 0.0341(16) Uani d . . G 1.0 . .
H H45 -0.046017 0.325433 0.52315 0.041 Uiso calc U . R 1.0 . .
C C46 0.0451(3) 0.4165(3) 0.5984(2) 0.0285(14) Uani d . . G 1.0 . .
H H46 0.023774 0.396762 0.654557 0.034 Uiso calc U . R 1.0 . .
C C47 0.1178(3) 0.4877(3) 0.5943(2) 0.0235(13) Uani d . . G 1.0 . .
H H47 0.146098 0.516683 0.647612 0.028 Uiso calc U . R 1.0 . .
C C48 0.3265(10) 0.7348(8) 0.3119(7) 0.062(3) Uani d . . . 1.0 . .
C C49 0.2508(12) 0.7069(11) 0.2379(7) 0.095(6) Uani d . . . 1.0 . .
H H49A 0.28419 0.690651 0.184068 0.143 Uiso calc U . R 1.0 . .
H H49B 0.205586 0.761884 0.22524 0.143 Uiso calc U . R 1.0 . .
H H49C 0.213313 0.649859 0.2563 0.143 Uiso calc U . R 1.0 . .
C C50 0.3967(9) 0.6492(8) 0.3312(7) 0.058(3) Uani d . . . 1.0 . .
H H50A 0.35857 0.590003 0.341963 0.088 Uiso calc U . R 1.0 . .
H H50B 0.440531 0.663981 0.384192 0.088 Uiso calc U . R 1.0 . .
H H50C 0.43622 0.638703 0.279927 0.088 Uiso calc U . R 1.0 . .
C C51 0.3943(10) 0.8264(9) 0.2944(9) 0.078(4) Uani d . . . 1.0 . .
H H51A 0.437716 0.810658 0.246977 0.116 Uiso calc U . R 1.0 . .
H H51B 0.434359 0.842677 0.349233 0.116 Uiso calc U . R 1.0 . .
H H51C 0.352673 0.882593 0.276095 0.116 Uiso calc U . R 1.0 . .
C C52 0.1774(7) 0.8609(7) 0.4146(6) 0.040(2) Uani d . . . 1.0 . .
C C53 0.2351(10) 0.9553(7) 0.4225(10) 0.068(4) Uani d . . . 1.0 . .
H H53A 0.278803 0.959875 0.3735 0.103 Uiso calc U . R 1.0 . .
H H53B 0.27469 0.956561 0.479699 0.103 Uiso calc U . R 1.0 . .
H H53C 0.189293 1.010886 0.419602 0.103 Uiso calc U . R 1.0 . .
C C54 0.1054(11) 0.8605(11) 0.3317(8) 0.082(5) Uani d . . . 1.0 . .
H H54A 0.053494 0.909204 0.338701 0.123 Uiso calc U . R 1.0 . .
H H54B 0.075514 0.7954 0.324108 0.123 Uiso calc U . R 1.0 . .
H H54C 0.140909 0.876595 0.279028 0.123 Uiso calc U . R 1.0 . .
C C55 0.1175(6) 0.8499(7) 0.4978(6) 0.0373(19) Uani d . . . 1.0 . .
H H55A 0.069458 0.903323 0.49919 0.056 Uiso calc U . R 1.0 . .
H H55B 0.162397 0.852339 0.551839 0.056 Uiso calc U . R 1.0 . .
H H55C 0.082648 0.786963 0.495257 0.056 Uiso calc U . R 1.0 . .
Ge Ge1 0.65831(5) 0.74300(6) 0.45754(5) 0.0268(2) Uani d . . D 1.0 . .
Ge Ge2 0.35029(5) 0.75871(6) 0.56503(5) 0.0274(2) Uani d . . D 1.0 . .
N N1 0.7189(4) 0.8760(5) 0.4454(4) 0.0211(12) Uani d . . . 1.0 . .
N N2 0.8249(4) 0.8509(4) 0.5756(4) 0.0237(13) Uani d . . . 1.0 . .
N N3 0.2896(4) 0.6233(4) 0.5665(4) 0.0177(11) Uani d . . . 1.0 . .
N N4 0.1951(5) 0.6568(5) 0.4316(4) 0.0284(14) Uani d . . . 1.0 . .
P P1 0.75749(16) 0.75374(13) 0.59766(13) 0.0270(5) Uani d . . . 1.0 . .
P P2 0.26482(17) 0.75558(15) 0.41887(14) 0.0320(5) Uani d . . . 1.0 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.39 ?
C1 C6 . 1.39 ?
C1 N1 . 1.453(7) ?
C2 C3 . 1.39 ?
C2 C10 . 1.554(8) ?
C3 C4 . 1.39 ?
C3 H3 . 0.95 ?
C4 C5 . 1.39 ?
C4 H4 . 0.95 ?
C5 C6 . 1.39 ?
C5 H5 . 0.95 ?
C6 C7 . 1.553(8) ?
C7 C8 . 1.524(11) ?
C7 C9 . 1.533(11) ?
C7 H7 . 1.0 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C11 . 1.479(14) ?
C10 C12 . 1.542(13) ?
C10 H10 . 1.0 ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C13 N2 . 1.329(9) ?
C13 N1 . 1.354(9) ?
C13 C14 . 1.492(7) ?
C14 C15 . 1.39 ?
C14 C19 . 1.39 ?
C15 C16 . 1.39 ?
C15 H15 . 0.95 ?
C16 C17 . 1.39 ?
C16 H16 . 0.95 ?
C17 C18 . 1.39 ?
C17 H17 . 0.95 ?
C18 C19 . 1.39 ?
C18 H18 . 0.95 ?
C19 H19 . 0.95 ?
C20 C23 . 1.514(13) ?
C20 C21 . 1.523(12) ?
C20 C22 . 1.529(13) ?
C20 P1 . 1.863(7) ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 C26 . 1.548(12) ?
C24 C27 . 1.550(13) ?
C24 C25 . 1.556(15) ?
C24 P1 . 1.895(9) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
C28 O2 . 1.191(16) ?
C28 O1 . 1.330(11) ?
C28 Ge2 . 2.033(13) ?
O1 Ge1 . 1.962(9) ?
C28A O2A . 1.183(19) ?
C28A O1A . 1.329(14) ?
C28A Ge1 . 2.022(17) ?
O1A Ge2 . 1.983(14) ?
C29 C30 . 1.39 ?
C29 C34 . 1.39 ?
C29 N3 . 1.438(6) ?
C30 C31 . 1.39 ?
C30 C38 . 1.533(8) ?
C31 C32 . 1.39 ?
C31 H31 . 0.95 ?
C32 C33 . 1.39 ?
C32 H32 . 0.95 ?
C33 C34 . 1.39 ?
C33 H33 . 0.95 ?
C34 C35 . 1.538(8) ?
C35 C36 . 1.499(14) ?
C35 C37 . 1.570(14) ?
C35 H35 . 1.0 ?
C36 H36A . 0.98 ?
C36 H36B . 0.98 ?
C36 H36C . 0.98 ?
C37 H37A . 0.98 ?
C37 H37B . 0.98 ?
C37 H37C . 0.98 ?
C38 C40 . 1.531(11) ?
C38 C39 . 1.544(11) ?
C38 H38 . 1.0 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
C40 H40A . 0.98 ?
C40 H40B . 0.98 ?
C40 H40C . 0.98 ?
C41 N4 . 1.315(9) ?
C41 N3 . 1.351(9) ?
C41 C42 . 1.511(7) ?
C42 C43 . 1.39 ?
C42 C47 . 1.39 ?
C43 C44 . 1.39 ?
C43 H43 . 0.95 ?
C44 C45 . 1.39 ?
C44 H44 . 0.95 ?
C45 C46 . 1.39 ?
C45 H45 . 0.95 ?
C46 C47 . 1.39 ?
C46 H46 . 0.95 ?
C47 H47 . 0.95 ?
C48 C49 . 1.51(2) ?
C48 C50 . 1.523(15) ?
C48 C51 . 1.586(16) ?
C48 P2 . 1.885(10) ?
C49 H49A . 0.98 ?
C49 H49B . 0.98 ?
C49 H49C . 0.98 ?
C50 H50A . 0.98 ?
C50 H50B . 0.98 ?
C50 H50C . 0.98 ?
C51 H51A . 0.98 ?
C51 H51B . 0.98 ?
C51 H51C . 0.98 ?
C52 C53 . 1.509(16) ?
C52 C54 . 1.528(15) ?
C52 C55 . 1.546(12) ?
C52 P2 . 1.863(9) ?
C53 H53A . 0.98 ?
C53 H53B . 0.98 ?
C53 H53C . 0.98 ?
C54 H54A . 0.98 ?
C54 H54B . 0.98 ?
C54 H54C . 0.98 ?
C55 H55A . 0.98 ?
C55 H55B . 0.98 ?
C55 H55C . 0.98 ?
Ge1 N1 . 2.007(6) ?
Ge1 P1 . 2.421(2) ?
Ge2 N3 . 2.024(6) ?
Ge2 P2 . 2.409(3) ?
N2 P1 . 1.658(6) ?
N4 P2 . 1.666(8) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 120.0 ?
C2 C1 N1 . . 120.0(3) ?
C6 C1 N1 . . 119.7(3) ?
C1 C2 C3 . . 120.0 ?
C1 C2 C10 . . 123.2(4) ?
C3 C2 C10 . . 116.7(4) ?
C2 C3 C4 . . 120.0 ?
C2 C3 H3 . . 120.0 ?
C4 C3 H3 . . 120.0 ?
C5 C4 C3 . . 120.0 ?
C5 C4 H4 . . 120.0 ?
C3 C4 H4 . . 120.0 ?
C4 C5 C6 . . 120.0 ?
C4 C5 H5 . . 120.0 ?
C6 C5 H5 . . 120.0 ?
C5 C6 C1 . . 120.0 ?
C5 C6 C7 . . 116.5(4) ?
C1 C6 C7 . . 123.4(4) ?
C8 C7 C9 . . 109.8(6) ?
C8 C7 C6 . . 111.2(6) ?
C9 C7 C6 . . 112.6(6) ?
C8 C7 H7 . . 107.7 ?
C9 C7 H7 . . 107.7 ?
C6 C7 H7 . . 107.7 ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C11 C10 C12 . . 112.2(8) ?
C11 C10 C2 . . 112.3(7) ?
C12 C10 C2 . . 110.9(7) ?
C11 C10 H10 . . 107.0 ?
C12 C10 H10 . . 107.0 ?
C2 C10 H10 . . 107.0 ?
C10 C11 H11A . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C10 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C10 C12 H12A . . 109.5 ?
C10 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C10 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N2 C13 N1 . . 124.0(6) ?
N2 C13 C14 . . 113.8(5) ?
N1 C13 C14 . . 122.1(5) ?
C15 C14 C19 . . 120.0 ?
C15 C14 C13 . . 121.3(3) ?
C19 C14 C13 . . 118.4(3) ?
C14 C15 C16 . . 120.0 ?
C14 C15 H15 . . 120.0 ?
C16 C15 H15 . . 120.0 ?
C15 C16 C17 . . 120.0 ?
C15 C16 H16 . . 120.0 ?
C17 C16 H16 . . 120.0 ?
C18 C17 C16 . . 120.0 ?
C18 C17 H17 . . 120.0 ?
C16 C17 H17 . . 120.0 ?
C17 C18 C19 . . 120.0 ?
C17 C18 H18 . . 120.0 ?
C19 C18 H18 . . 120.0 ?
C18 C19 C14 . . 120.0 ?
C18 C19 H19 . . 120.0 ?
C14 C19 H19 . . 120.0 ?
C23 C20 C21 . . 108.3(8) ?
C23 C20 C22 . . 111.4(8) ?
C21 C20 C22 . . 107.6(7) ?
C23 C20 P1 . . 113.8(6) ?
C21 C20 P1 . . 106.1(5) ?
C22 C20 P1 . . 109.3(6) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C20 C22 H22A . . 109.5 ?
C20 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C20 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C20 C23 H23A . . 109.5 ?
C20 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C20 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C26 C24 C27 . . 112.0(8) ?
C26 C24 C25 . . 109.0(8) ?
C27 C24 C25 . . 108.7(8) ?
C26 C24 P1 . . 111.0(6) ?
C27 C24 P1 . . 103.3(6) ?
C25 C24 P1 . . 112.7(6) ?
C24 C25 H25A . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C24 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C24 C26 H26A . . 109.5 ?
C24 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C24 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C24 C27 H27A . . 109.5 ?
C24 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
O2 C28 O1 . . 121.4(9) ?
O2 C28 Ge2 . . 127.3(10) ?
O1 C28 Ge2 . . 111.0(7) ?
C28 O1 Ge1 . . 107.9(5) ?
O2A C28A O1A . . 120.3(14) ?
O2A C28A Ge1 . . 129.3(17) ?
O1A C28A Ge1 . . 110.3(10) ?
C28A O1A Ge2 . . 108.8(9) ?
C30 C29 C34 . . 120.0 ?
C30 C29 N3 . . 119.8(3) ?
C34 C29 N3 . . 120.0(3) ?
C29 C30 C31 . . 120.0 ?
C29 C30 C38 . . 122.2(4) ?
C31 C30 C38 . . 117.7(4) ?
C32 C31 C30 . . 120.0 ?
C32 C31 H31 . . 120.0 ?
C30 C31 H31 . . 120.0 ?
C31 C32 C33 . . 120.0 ?
C31 C32 H32 . . 120.0 ?
C33 C32 H32 . . 120.0 ?
C34 C33 C32 . . 120.0 ?
C34 C33 H33 . . 120.0 ?
C32 C33 H33 . . 120.0 ?
C33 C34 C29 . . 120.0 ?
C33 C34 C35 . . 117.2(4) ?
C29 C34 C35 . . 122.7(4) ?
C36 C35 C34 . . 113.2(7) ?
C36 C35 C37 . . 108.9(8) ?
C34 C35 C37 . . 109.6(7) ?
C36 C35 H35 . . 108.3 ?
C34 C35 H35 . . 108.3 ?
C37 C35 H35 . . 108.3 ?
C35 C36 H36A . . 109.5 ?
C35 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
C35 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
C35 C37 H37A . . 109.5 ?
C35 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
C35 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
C40 C38 C30 . . 111.7(6) ?
C40 C38 C39 . . 108.1(6) ?
C30 C38 C39 . . 112.8(7) ?
C40 C38 H38 . . 108.0 ?
C30 C38 H38 . . 108.0 ?
C39 C38 H38 . . 108.0 ?
C38 C39 H39A . . 109.5 ?
C38 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C38 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
C38 C40 H40A . . 109.5 ?
C38 C40 H40B . . 109.5 ?
H40A C40 H40B . . 109.5 ?
C38 C40 H40C . . 109.5 ?
H40A C40 H40C . . 109.5 ?
H40B C40 H40C . . 109.5 ?
N4 C41 N3 . . 124.9(6) ?
N4 C41 C42 . . 113.9(6) ?
N3 C41 C42 . . 121.1(5) ?
C43 C42 C47 . . 120.0 ?
C43 C42 C41 . . 117.6(3) ?
C47 C42 C41 . . 121.8(3) ?
C42 C43 C44 . . 120.0 ?
C42 C43 H43 . . 120.0 ?
C44 C43 H43 . . 120.0 ?
C43 C44 C45 . . 120.0 ?
C43 C44 H44 . . 120.0 ?
C45 C44 H44 . . 120.0 ?
C46 C45 C44 . . 120.0 ?
C46 C45 H45 . . 120.0 ?
C44 C45 H45 . . 120.0 ?
C45 C46 C47 . . 120.0 ?
C45 C46 H46 . . 120.0 ?
C47 C46 H46 . . 120.0 ?
C46 C47 C42 . . 120.0 ?
C46 C47 H47 . . 120.0 ?
C42 C47 H47 . . 120.0 ?
C49 C48 C50 . . 109.3(10) ?
C49 C48 C51 . . 116.8(10) ?
C50 C48 C51 . . 105.9(11) ?
C49 C48 P2 . . 110.2(9) ?
C50 C48 P2 . . 105.2(6) ?
C51 C48 P2 . . 108.7(8) ?
C48 C49 H49A . . 109.5 ?
C48 C49 H49B . . 109.5 ?
H49A C49 H49B . . 109.5 ?
C48 C49 H49C . . 109.5 ?
H49A C49 H49C . . 109.5 ?
H49B C49 H49C . . 109.5 ?
C48 C50 H50A . . 109.5 ?
C48 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
C48 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
C48 C51 H51A . . 109.5 ?
C48 C51 H51B . . 109.5 ?
H51A C51 H51B . . 109.5 ?
C48 C51 H51C . . 109.5 ?
H51A C51 H51C . . 109.5 ?
H51B C51 H51C . . 109.5 ?
C53 C52 C54 . . 111.5(10) ?
C53 C52 C55 . . 108.6(9) ?
C54 C52 C55 . . 108.4(9) ?
C53 C52 P2 . . 109.3(7) ?
C54 C52 P2 . . 113.3(7) ?
C55 C52 P2 . . 105.5(6) ?
C52 C53 H53A . . 109.5 ?
C52 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
C52 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
C52 C54 H54A . . 109.5 ?
C52 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C52 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
C52 C55 H55A . . 109.5 ?
C52 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
C52 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
O1 Ge1 N1 . . 94.0(3) ?
N1 Ge1 C28A . . 100.5(8) ?
O1 Ge1 P1 . . 97.2(3) ?
N1 Ge1 P1 . . 79.50(17) ?
C28A Ge1 P1 . . 109.4(10) ?
O1A Ge2 N3 . . 91.9(6) ?
N3 Ge2 C28 . . 99.5(4) ?
O1A Ge2 P2 . . 91.0(7) ?
N3 Ge2 P2 . . 79.83(17) ?
C28 Ge2 P2 . . 103.5(4) ?
C13 N1 C1 . . 123.2(6) ?
C13 N1 Ge1 . . 118.5(5) ?
C1 N1 Ge1 . . 118.3(4) ?
C13 N2 P1 . . 116.5(5) ?
C41 N3 C29 . . 124.9(5) ?
C41 N3 Ge2 . . 117.1(5) ?
C29 N3 Ge2 . . 118.0(4) ?
C41 N4 P2 . . 116.6(5) ?
N2 P1 C20 . . 105.6(4) ?
N2 P1 C24 . . 101.7(4) ?
C20 P1 C24 . . 112.2(4) ?
N2 P1 Ge1 . . 98.9(2) ?
C20 P1 Ge1 . . 105.8(3) ?
C24 P1 Ge1 . . 129.3(3) ?
N4 P2 C52 . . 105.2(4) ?
N4 P2 C48 . . 105.4(5) ?
C52 P2 C48 . . 114.0(4) ?
N4 P2 Ge2 . . 98.7(2) ?
C52 P2 Ge2 . . 106.4(3) ?
C48 P2 Ge2 . . 124.4(5) ?



####################################################################### 
# 
# 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_scw2328m_0m_5
_database_code_depnum_ccdc_archive 'CCDC 2109351'
loop_
_audit_author_name
_audit_author_address
'Cheuk-Wai So'
;Nanyang Technological University
Singapore
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64.75 H76 Ge2 N4 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1117.41

_chemical_melting_point          ?

_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                   12.3583(8)
_cell_length_b                   19.8949(11)
_cell_length_c                   24.9120(16)
_cell_angle_alpha                102.273(3)
_cell_angle_beta                 98.169(4)
_cell_angle_gamma                89.971(3)
_cell_volume                     5921.5(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9519
_cell_measurement_theta_min      2.1945
_cell_measurement_theta_max      26.0177
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2346

_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_T_max  0.96

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'
_diffrn_source_power             ?
_diffrn_source_current           ?
_diffrn_source_voltage           ?

_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            25276
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1194
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       30

_refine_special_details          
;

Refined as a 2-component twin.
;

_reflns_number_total             25276
_reflns_number_gt                17945
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1420
_refine_ls_R_factor_gt           0.0921
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.2150
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.024
_refine_ls_number_reflns         25276
_refine_ls_number_parameters     1242
_refine_ls_number_restraints     2229
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+78.7994P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.780
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Ver 2019.11, Bruker AXS Inc., 2020)'
_computing_cell_refinement       'APEX3 v2019.11-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS Inc., 2020)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'APEX3 (Ver 2019.11, Bruker AXS Inc., 2020)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8668(7) 0.1338(4) 0.9028(3) 0.027(2) Uani d U . G 1 . .
C C2 0.8164(7) 0.1966(3) 0.9152(3) 0.031(2) Uani d U . G 1 . .
H H2 0.805988 0.22473 0.88857 0.037 Uiso calc U . R 1 . .
C C3 0.7812(7) 0.2182(3) 0.9665(3) 0.038(2) Uani d U . G 1 . .
H H3 0.746733 0.261036 0.974954 0.045 Uiso calc U . R 1 . .
C C4 0.7964(7) 0.1770(4) 1.0054(3) 0.039(2) Uani d U . G 1 . .
H H4 0.772372 0.191713 1.040465 0.047 Uiso calc U . R 1 . .
C C5 0.8469(7) 0.1142(4) 0.9930(3) 0.040(2) Uani d U . G 1 . .
H H5 0.857264 0.086083 1.019593 0.048 Uiso calc U . R 1 . .
C C6 0.8821(7) 0.0927(3) 0.9417(3) 0.032(2) Uani d U . G 1 . .
H H6 0.91652 0.049776 0.93321 0.039 Uiso calc U . R 1 . .
C C7 0.9875(9) 0.0787(5) 0.8384(4) 0.0186(18) Uani d U . . 1 . .
C C8 1.0864(5) 0.0944(3) 0.8828(3) 0.0212(19) Uani d U . G 1 . .
C C9 1.1098(6) 0.1612(3) 0.9132(3) 0.030(2) Uani d U . G 1 . .
H H9 1.062002 0.197116 0.907101 0.036 Uiso calc U . R 1 . .
C C10 1.2031(6) 0.1755(3) 0.9526(3) 0.042(3) Uani d U . G 1 . .
H H10 1.219038 0.221112 0.973379 0.05 Uiso calc U . R 1 . .
C C11 1.2730(6) 0.1230(4) 0.9616(3) 0.046(3) Uani d U . G 1 . .
H H11 1.336765 0.1327 0.988484 0.056 Uiso calc U . R 1 . .
C C12 1.2497(6) 0.0562(4) 0.9312(4) 0.040(3) Uani d U . G 1 . .
H H12 1.297457 0.02029 0.937311 0.048 Uiso calc U . R 1 . .
C C13 1.1564(6) 0.0419(3) 0.8918(3) 0.030(2) Uani d U . G 1 . .
H H13 1.140422 -0.003707 0.871032 0.036 Uiso calc U . R 1 . .
C C14 0.8376(10) -0.0683(6) 0.7538(5) 0.026(2) Uani d U . . 1 . .
C C15 0.8334(9) -0.0607(6) 0.8160(5) 0.024(2) Uani d U . . 1 . .
H H15A 0.793415 -0.019419 0.8295 0.035 Uiso calc U . R 1 . .
H H15B 0.907967 -0.056523 0.836201 0.035 Uiso calc U . R 1 . .
H H15C 0.795995 -0.101275 0.822099 0.035 Uiso calc U . R 1 . .
C C16 0.9091(12) -0.1276(6) 0.7348(6) 0.035(3) Uani d U . . 1 . .
H H16A 0.883138 -0.168935 0.745157 0.052 Uiso calc U . R 1 . .
H H16B 0.984746 -0.116301 0.752523 0.052 Uiso calc U . R 1 . .
H H16C 0.905795 -0.136001 0.694379 0.052 Uiso calc U . R 1 . .
C C17 0.7221(11) -0.0842(6) 0.7222(6) 0.038(3) Uani d U . . 1 . .
H H17A 0.695266 -0.128348 0.727533 0.057 Uiso calc U . R 1 . .
H H17B 0.723242 -0.086813 0.682567 0.057 Uiso calc U . R 1 . .
H H17C 0.673575 -0.047705 0.73625 0.057 Uiso calc U . R 1 . .
C C18 0.9359(10) 0.0125(6) 0.6753(5) 0.022(2) Uani d U . . 1 . .
C C19 0.9761(13) 0.0857(6) 0.6749(6) 0.034(3) Uani d U . . 1 . .
H H19A 1.049466 0.09464 0.696286 0.052 Uiso calc U . R 1 . .
H H19B 0.925877 0.11935 0.691658 0.052 Uiso calc U . R 1 . .
H H19C 0.978404 0.089736 0.636568 0.052 Uiso calc U . R 1 . .
C C20 0.8370(11) -0.0090(7) 0.6294(6) 0.033(3) Uani d U . . 1 . .
H H20A 0.775855 0.020886 0.637883 0.05 Uiso calc U . R 1 . .
H H20B 0.815088 -0.056891 0.627584 0.05 Uiso calc U . R 1 . .
H H20C 0.85713 -0.004759 0.593604 0.05 Uiso calc U . R 1 . .
C C21 1.0325(10) -0.0356(6) 0.6655(6) 0.029(3) Uani d U . . 1 . .
H H21A 1.061068 -0.029767 0.632012 0.044 Uiso calc U . R 1 . .
H H21B 1.00723 -0.083492 0.660788 0.044 Uiso calc U . R 1 . .
H H21C 1.090357 -0.024153 0.697516 0.044 Uiso calc U . R 1 . .
C C22 0.9849(5) 0.2207(3) 0.7910(3) 0.025(2) Uani d U . G 1 . .
H H22 1.005562 0.174259 0.780797 0.03 Uiso calc U . R 1 . .
C C23 1.0641(4) 0.2722(3) 0.8145(4) 0.029(2) Uani d U . G 1 . .
H H23 1.138895 0.26086 0.820423 0.035 Uiso calc U . R 1 . .
C C24 1.0338(5) 0.3401(3) 0.8293(4) 0.035(2) Uani d U . G 1 . .
H H24 1.087931 0.3753 0.845434 0.042 Uiso calc U . R 1 . .
C C25 0.9243(6) 0.3567(2) 0.8207(4) 0.030(2) Uani d U . G 1 . .
H H25 0.903634 0.403139 0.83082 0.036 Uiso calc U . R 1 . .
C C26 0.8451(4) 0.3052(3) 0.7971(3) 0.025(2) Uani d U . G 1 . .
H H26 0.7703 0.316538 0.791195 0.03 Uiso calc U . R 1 . .
C C27 0.8754(5) 0.2373(3) 0.7823(3) 0.0188(19) Uani d U . G 1 . .
C C28 0.7916(8) 0.1828(5) 0.7552(4) 0.0132(18) Uani d U . . 1 . .
C C29 0.7037(10) 0.1930(6) 0.7164(5) 0.021(2) Uani d U . . 1 . .
C C30 0.7097(6) 0.2485(3) 0.6850(3) 0.0176(18) Uani d U . G 1 . .
C C31 0.6259(5) 0.2951(4) 0.6840(3) 0.023(2) Uani d U . G 1 . .
H H31 0.564314 0.290148 0.701897 0.028 Uiso calc U . R 1 . .
C C32 0.6321(5) 0.3489(3) 0.6568(3) 0.023(2) Uani d U . G 1 . .
H H32 0.574873 0.380677 0.656141 0.028 Uiso calc U . R 1 . .
C C33 0.7222(6) 0.3561(3) 0.6306(3) 0.024(2) Uani d U . G 1 . .
H H33 0.726496 0.392844 0.612036 0.029 Uiso calc U . R 1 . .
C C34 0.8060(5) 0.3095(4) 0.6316(3) 0.026(2) Uani d U . G 1 . .
H H34 0.867561 0.314481 0.613688 0.031 Uiso calc U . R 1 . .
C C35 0.7997(5) 0.2558(3) 0.6588(3) 0.024(2) Uani d U . G 1 . .
H H35 0.857004 0.223951 0.659445 0.029 Uiso calc U . R 1 . .
C C36 0.4758(7) 0.1373(4) 0.5852(2) 0.026(2) Uani d U . G 1 . .
C C37 0.5591(6) 0.1585(4) 0.5598(3) 0.039(3) Uani d U . G 1 . .
H H37 0.615196 0.189629 0.581102 0.047 Uiso calc U . R 1 . .
C C38 0.5603(7) 0.1340(5) 0.5033(3) 0.050(3) Uani d U . G 1 . .
H H38 0.617177 0.148421 0.486009 0.06 Uiso calc U . R 1 . .
C C39 0.4782(8) 0.0884(5) 0.4722(3) 0.041(3) Uani d U . G 1 . .
H H39 0.479006 0.071636 0.433587 0.049 Uiso calc U . R 1 . .
C C40 0.3949(7) 0.0672(4) 0.4975(3) 0.035(3) Uani d U . G 1 . .
H H40 0.338853 0.036057 0.47626 0.042 Uiso calc U . R 1 . .
C C41 0.3938(6) 0.0917(4) 0.5540(3) 0.029(2) Uani d U . G 1 . .
H H41 0.33687 0.077264 0.571354 0.034 Uiso calc U . R 1 . .
C C42 0.3889(9) 0.1900(5) 0.6648(5) 0.0157(18) Uani d U . . 1 . .
C C43 0.3059(5) 0.2241(4) 0.6306(3) 0.022(2) Uani d U . G 1 . .
C C44 0.1966(6) 0.2154(4) 0.6358(3) 0.024(2) Uani d U . G 1 . .
H H44 0.176734 0.187424 0.659584 0.029 Uiso calc U . R 1 . .
C C45 0.1162(5) 0.2477(4) 0.6063(4) 0.033(2) Uani d U . G 1 . .
H H45 0.041523 0.241777 0.609856 0.039 Uiso calc U . R 1 . .
C C46 0.1452(6) 0.2886(4) 0.5715(3) 0.036(3) Uani d U . G 1 . .
H H46 0.090347 0.310711 0.551287 0.043 Uiso calc U . R 1 . .
C C47 0.2546(7) 0.2973(4) 0.5662(3) 0.032(2) Uani d U . G 1 . .
H H47 0.274381 0.325292 0.542445 0.039 Uiso calc U . R 1 . .
C C48 0.3349(5) 0.2650(4) 0.5958(3) 0.027(2) Uani d U . G 1 . .
H H48 0.409594 0.27094 0.592173 0.032 Uiso calc U . R 1 . .
C C49 0.3702(10) 0.0692(6) 0.7501(5) 0.026(2) Uani d U . . 1 . .
C C50 0.3309(11) 0.0396(6) 0.6885(6) 0.029(3) Uani d U . . 1 . .
H H50A 0.290906 -0.004159 0.684337 0.044 Uiso calc U . R 1 . .
H H50B 0.394047 0.031918 0.668463 0.044 Uiso calc U . R 1 . .
H H50C 0.282465 0.072137 0.67325 0.044 Uiso calc U . R 1 . .
C C51 0.2719(10) 0.0836(6) 0.7823(5) 0.026(2) Uani d U . . 1 . .
H H51A 0.218002 0.045386 0.769419 0.039 Uiso calc U . R 1 . .
H H51B 0.238346 0.126344 0.775971 0.039 Uiso calc U . R 1 . .
H H51C 0.297057 0.088082 0.822104 0.039 Uiso calc U . R 1 . .
C C52 0.4455(11) 0.0140(6) 0.7713(6) 0.030(3) Uani d U . . 1 . .
H H52A 0.482138 0.033268 0.808952 0.045 Uiso calc U . R 1 . .
H H52B 0.500485 0.000765 0.74652 0.045 Uiso calc U . R 1 . .
H H52C 0.400974 -0.026684 0.771511 0.045 Uiso calc U . R 1 . .
C C53 0.4747(9) 0.2028(6) 0.8261(5) 0.024(2) Uani d U . . 1 . .
C C54 0.5597(9) 0.2586(6) 0.8255(5) 0.025(2) Uani d U . . 1 . .
H H54A 0.564698 0.293872 0.859883 0.038 Uiso calc U . R 1 . .
H H54B 0.537639 0.279791 0.793631 0.038 Uiso calc U . R 1 . .
H H54C 0.631153 0.237908 0.8224 0.038 Uiso calc U . R 1 . .
C C55 0.5198(10) 0.1611(6) 0.8680(5) 0.027(2) Uani d U . . 1 . .
H H55A 0.575415 0.130421 0.852969 0.041 Uiso calc U . R 1 . .
H H55B 0.460371 0.133559 0.875739 0.041 Uiso calc U . R 1 . .
H H55C 0.552755 0.192155 0.902462 0.041 Uiso calc U . R 1 . .
C C56 0.3714(10) 0.2401(7) 0.8408(6) 0.032(3) Uani d U . . 1 . .
H H56A 0.388974 0.274158 0.875702 0.048 Uiso calc U . R 1 . .
H H56B 0.316528 0.206678 0.844881 0.048 Uiso calc U . R 1 . .
H H56C 0.342234 0.263333 0.811067 0.048 Uiso calc U . R 1 . .
C C57 0.4339(7) 0.3588(4) 0.4165(2) 0.024(2) Uani d U . G 1 . .
C C58 0.3692(6) 0.4048(4) 0.4471(3) 0.026(2) Uani d U . G 1 . .
H H58 0.302627 0.419082 0.429344 0.032 Uiso calc U . R 1 . .
C C59 0.4020(7) 0.4300(4) 0.5035(3) 0.032(2) Uani d U . G 1 . .
H H59 0.357759 0.461391 0.524406 0.039 Uiso calc U . R 1 . .
C C60 0.4994(7) 0.4091(5) 0.5294(3) 0.038(3) Uani d U . G 1 . .
H H60 0.521812 0.426265 0.56804 0.045 Uiso calc U . R 1 . .
C C61 0.5641(6) 0.3631(5) 0.4989(3) 0.046(3) Uani d U . G 1 . .
H H61 0.630733 0.34883 0.516613 0.055 Uiso calc U . R 1 . .
C C62 0.5314(6) 0.3380(4) 0.4424(3) 0.037(3) Uani d U . G 1 . .
H H62 0.575603 0.306521 0.421551 0.045 Uiso calc U . R 1 . .
C C63 0.3044(9) 0.3035(5) 0.3361(5) 0.0205(19) Uani d U . . 1 . .
C C64 0.2405(6) 0.2729(4) 0.3723(3) 0.0216(19) Uani d U . G 1 . .
C C65 0.1281(6) 0.2814(4) 0.3661(3) 0.028(2) Uani d U . G 1 . .
H H65 0.09544 0.308946 0.341743 0.034 Uiso calc U . R 1 . .
C C66 0.0636(5) 0.2496(4) 0.3953(4) 0.036(3) Uani d U . G 1 . .
H H66 -0.013256 0.255381 0.391047 0.043 Uiso calc U . R 1 . .
C C67 0.1114(7) 0.2092(4) 0.4309(3) 0.037(3) Uani d U . G 1 . .
H H67 0.067272 0.187473 0.45094 0.045 Uiso calc U . R 1 . .
C C68 0.2238(7) 0.2007(4) 0.4372(3) 0.035(2) Uani d U . G 1 . .
H H68 0.256496 0.173128 0.461529 0.042 Uiso calc U . R 1 . .
C C69 0.2884(5) 0.2325(4) 0.4079(3) 0.029(2) Uani d U . G 1 . .
H H69 0.365193 0.226692 0.412225 0.034 Uiso calc U . R 1 . .
C C70 0.2322(9) 0.4215(5) 0.2513(5) 0.020(2) Uani d U . . 1 . .
C C71 0.2264(10) 0.4509(6) 0.3142(5) 0.027(3) Uani d U . . 1 . .
H H71A 0.299012 0.468489 0.333209 0.04 Uiso calc U . R 1 . .
H H71B 0.201996 0.414252 0.330939 0.04 Uiso calc U . R 1 . .
H H71C 0.174591 0.48833 0.318 0.04 Uiso calc U . R 1 . .
C C72 0.1112(8) 0.4038(5) 0.2225(4) 0.018(2) Uani d U . . 1 . .
H H72A 0.065047 0.442659 0.2343 0.027 Uiso calc U . R 1 . .
H H72B 0.08436 0.362853 0.233164 0.027 Uiso calc U . R 1 . .
H H72C 0.108612 0.394726 0.182109 0.027 Uiso calc U . R 1 . .
C C73 0.2824(11) 0.4760(6) 0.2274(6) 0.034(3) Uani d U . . 1 . .
H H73A 0.246376 0.519701 0.238153 0.051 Uiso calc U . R 1 . .
H H73B 0.272649 0.46171 0.186842 0.051 Uiso calc U . R 1 . .
H H73C 0.360598 0.4818 0.241811 0.051 Uiso calc U . R 1 . .
C C74 0.3022(9) 0.2879(5) 0.1758(5) 0.018(2) Uani d U . . 1 . .
C C75 0.1863(9) 0.2533(6) 0.1600(5) 0.023(2) Uani d U . . 1 . .
H H75A 0.132362 0.287955 0.153546 0.034 Uiso calc U . R 1 . .
H H75B 0.169099 0.232739 0.190317 0.034 Uiso calc U . R 1 . .
H H75C 0.184097 0.217402 0.12613 0.034 Uiso calc U . R 1 . .
C C76 0.3212(9) 0.3307(6) 0.1325(5) 0.023(2) Uani d U . . 1 . .
H H76A 0.323925 0.299616 0.096518 0.035 Uiso calc U . R 1 . .
H H76B 0.390613 0.356977 0.144732 0.035 Uiso calc U . R 1 . .
H H76C 0.261238 0.362366 0.128997 0.035 Uiso calc U . R 1 . .
C C77 0.3872(10) 0.2327(5) 0.1767(5) 0.025(2) Uani d U . . 1 . .
H H77A 0.381482 0.202214 0.139894 0.037 Uiso calc U . R 1 . .
H H77B 0.374322 0.205832 0.20408 0.037 Uiso calc U . R 1 . .
H H77C 0.460456 0.254467 0.186849 0.037 Uiso calc U . R 1 . .
C C78 0.5291(4) 0.2006(4) 0.3182(3) 0.022(2) Uani d U . G 1 . .
H H78 0.457 0.205227 0.300498 0.027 Uiso calc U . R 1 . .
C C79 0.5518(5) 0.1475(3) 0.3460(3) 0.025(2) Uani d U . G 1 . .
H H79 0.495238 0.115821 0.347365 0.03 Uiso calc U . R 1 . .
C C80 0.6573(6) 0.1407(3) 0.3719(3) 0.027(2) Uani d U . G 1 . .
H H80 0.672834 0.104393 0.390967 0.033 Uiso calc U . R 1 . .
C C81 0.7401(5) 0.1870(4) 0.3700(3) 0.027(2) Uani d U . G 1 . .
H H81 0.812193 0.182371 0.387702 0.033 Uiso calc U . R 1 . .
C C82 0.7174(5) 0.2401(3) 0.3422(3) 0.023(2) Uani d U . G 1 . .
H H82 0.773956 0.271777 0.340835 0.027 Uiso calc U . R 1 . .
C C83 0.6119(5) 0.2469(3) 0.3163(3) 0.0199(19) Uani d U . G 1 . .
C C84 0.5905(9) 0.3047(5) 0.2863(5) 0.019(2) Uani d U . . 1 . .
C C85 0.6440(9) 0.3123(5) 0.2443(5) 0.027(2) Uani d U . D 1 . .
C C86 0.7254(5) 0.2586(3) 0.2196(3) 0.0203(19) Uani d U . DG 1 . .
C C87 0.6847(4) 0.1912(3) 0.2019(3) 0.022(2) Uani d U . G 1 . .
H H87 0.614481 0.179401 0.209066 0.027 Uiso calc U . R 1 . .
C C88 0.7468(6) 0.1410(3) 0.1737(3) 0.029(2) Uani d U . G 1 . .
H H88 0.71899 0.094937 0.161634 0.035 Uiso calc U . R 1 . .
C C89 0.8496(6) 0.1582(3) 0.1633(3) 0.031(2) Uani d U . G 1 . .
H H89 0.892034 0.123944 0.143995 0.037 Uiso calc U . R 1 . .
C C90 0.8903(5) 0.2256(4) 0.1810(3) 0.028(2) Uani d U . G 1 . .
H H90 0.960571 0.237416 0.173789 0.034 Uiso calc U . R 1 . .
C C91 0.8282(5) 0.2758(3) 0.2091(3) 0.020(2) Uani d U . G 1 . .
H H91 0.856063 0.321882 0.221222 0.024 Uiso calc U . R 1 . .
C C92 0.6518(6) 0.3592(3) 0.1009(2) 0.0223(19) Uani d U . G 1 . .
C C93 0.6377(6) 0.3984(3) 0.0606(3) 0.031(2) Uani d U . G 1 . .
H H93 0.672496 0.442555 0.067603 0.037 Uiso calc U . R 1 . .
C C94 0.5725(7) 0.3729(4) 0.0100(3) 0.033(2) Uani d U . G 1 . .
H H94 0.562878 0.39974 -0.017533 0.04 Uiso calc U . R 1 . .
C C95 0.5216(6) 0.3083(4) -0.0002(3) 0.036(2) Uani d U . G 1 . .
H H95 0.477052 0.290901 -0.034773 0.043 Uiso calc U . R 1 . .
C C96 0.5357(6) 0.2691(3) 0.0401(3) 0.034(2) Uani d U . G 1 . .
H H96 0.500844 0.224878 0.033123 0.041 Uiso calc U . R 1 . .
C C97 0.6008(6) 0.2945(3) 0.0907(3) 0.027(2) Uani d U . G 1 . .
H H97 0.610462 0.267693 0.11826 0.032 Uiso calc U . R 1 . .
C C98 0.8076(8) 0.4204(5) 0.1644(5) 0.0169(18) Uani d U . . 1 . .
C C99 0.8839(5) 0.4080(3) 0.1227(3) 0.0221(19) Uani d U . G 1 . .
C C100 0.9543(6) 0.4616(3) 0.1205(3) 0.027(2) Uani d U . G 1 . .
H H100 0.947812 0.506111 0.142723 0.033 Uiso calc U . R 1 . .
C C101 1.0341(6) 0.4499(3) 0.0857(3) 0.035(2) Uani d U . G 1 . .
H H101 1.082117 0.486519 0.084228 0.042 Uiso calc U . R 1 . .
C C102 1.0435(6) 0.3848(4) 0.0532(3) 0.036(2) Uani d U . G 1 . .
H H102 1.098031 0.376803 0.029438 0.043 Uiso calc U . R 1 . .
C C103 0.9732(6) 0.3312(3) 0.0554(3) 0.031(2) Uani d U . G 1 . .
H H103 0.979639 0.286677 0.033142 0.037 Uiso calc U . R 1 . .
C C104 0.8934(5) 0.3429(3) 0.0901(3) 0.025(2) Uani d U . G 1 . .
H H104 0.845333 0.306267 0.091636 0.03 Uiso calc U . R 1 . .
C C105 0.6975(10) 0.5667(6) 0.2483(5) 0.022(2) Uani d U . . 1 . .
C C106 0.6641(11) 0.5607(6) 0.1857(5) 0.029(3) Uani d U . . 1 . .
H H10A 0.632663 0.603951 0.179065 0.044 Uiso calc U . R 1 . .
H H10B 0.609724 0.523043 0.171277 0.044 Uiso calc U . R 1 . .
H H10C 0.728625 0.551324 0.166855 0.044 Uiso calc U . R 1 . .
C C107 0.7792(12) 0.6284(6) 0.2704(6) 0.032(3) Uani d U . . 1 . .
H H10D 0.746016 0.670013 0.261251 0.048 Uiso calc U . R 1 . .
H H10E 0.845811 0.619311 0.253287 0.048 Uiso calc U . R 1 . .
H H10F 0.797496 0.634892 0.310821 0.048 Uiso calc U . R 1 . .
C C108 0.5938(11) 0.5784(7) 0.2768(5) 0.031(3) Uani d U . . 1 . .
H H10G 0.614416 0.585411 0.317071 0.047 Uiso calc U . R 1 . .
H H10H 0.544163 0.538016 0.263487 0.047 Uiso calc U . R 1 . .
H H10I 0.557029 0.619103 0.267795 0.047 Uiso calc U . R 1 . .
C C109 0.8382(10) 0.4861(6) 0.3260(5) 0.023(2) Uani d U . . 1 . .
C C110 0.9398(10) 0.5336(6) 0.3354(5) 0.028(3) Uani d U . . 1 . .
H H11A 0.918772 0.581585 0.345953 0.042 Uiso calc U . R 1 . .
H H11B 0.972547 0.526957 0.301188 0.042 Uiso calc U . R 1 . .
H H11C 0.992937 0.522605 0.365234 0.042 Uiso calc U . R 1 . .
C C111 0.7664(11) 0.5107(7) 0.3727(6) 0.032(3) Uani d U . . 1 . .
H H11D 0.807544 0.507395 0.408627 0.048 Uiso calc U . R 1 . .
H H11E 0.699713 0.48156 0.365301 0.048 Uiso calc U . R 1 . .
H H11F 0.746696 0.558576 0.373459 0.048 Uiso calc U . R 1 . .
C C112 0.8769(10) 0.4147(6) 0.3277(5) 0.025(3) Uani d U . . 1 . .
H H11G 0.925124 0.400513 0.299641 0.038 Uiso calc U . R 1 . .
H H11H 0.813675 0.382653 0.320126 0.038 Uiso calc U . R 1 . .
H H11I 0.916981 0.414607 0.364603 0.038 Uiso calc U . R 1 . .
C C113 0.2423(15) 0.4242(8) -0.0407(6) 0.077(5) Uani d U . D 1 . .
H H11J 0.195172 0.387144 -0.035521 0.115 Uiso calc U . R 1 . .
H H11K 0.310309 0.404914 -0.052425 0.115 Uiso calc U . R 1 . .
H H11L 0.204439 0.446453 -0.069262 0.115 Uiso calc U . R 1 . .
C C114 0.2679(7) 0.4756(4) 0.0124(3) 0.045(3) Uani d U . DG 1 . .
C C115 0.2151(6) 0.5378(4) 0.0215(3) 0.048(3) Uani d U . DG 1 . .
H H115 0.162169 0.548546 -0.006748 0.058 Uiso calc U . R 1 . .
C C116 0.2397(7) 0.5844(3) 0.0721(4) 0.052(3) Uani d U . DG 1 . .
H H116 0.203595 0.626899 0.078372 0.062 Uiso calc U . R 1 . .
C C117 0.3171(8) 0.5687(4) 0.1135(3) 0.057(3) Uani d U . DG 1 . .
H H117 0.333933 0.6005 0.14805 0.068 Uiso calc U . R 1 . .
C C118 0.3699(7) 0.5065(5) 0.1043(3) 0.054(3) Uani d U . DG 1 . .
H H118 0.422845 0.495748 0.132608 0.065 Uiso calc U . R 1 . .
C C119 0.3453(7) 0.4599(4) 0.0538(4) 0.050(3) Uani d U . DG 1 . .
H H119 0.38142 0.417394 0.047488 0.06 Uiso calc U . R 1 . .
N N1 0.8934(7) 0.1099(4) 0.8478(4) 0.0179(17) Uani d U . . 1 . .
N N2 1.0010(8) 0.0363(5) 0.7912(4) 0.0188(18) Uani d U . . 1 . .
N N3 0.4767(8) 0.1596(5) 0.6437(4) 0.0191(18) Uani d U . . 1 . .
N N4 0.3736(8) 0.1948(4) 0.7168(4) 0.0187(18) Uani d U . . 1 . .
N N5 0.4041(8) 0.3351(5) 0.3581(4) 0.0190(17) Uani d U . . 1 . .
N N6 0.2571(8) 0.2955(4) 0.2842(4) 0.0192(18) Uani d U . . 1 . .
N N7 0.7080(7) 0.3875(4) 0.1556(4) 0.0172(16) Uani d U . . 1 . .
N N8 0.8453(7) 0.4628(4) 0.2119(4) 0.0176(18) Uani d U . . 1 . .
C C120 -0.098(2) 0.3847(10) 0.4914(14) 0.061(8) Uani d U P D 0.5 A -1
H H12A -0.141321 0.370555 0.454502 0.091 Uiso calc U P R 0.5 A -1
H H12B -0.147111 0.390909 0.519707 0.091 Uiso calc U P R 0.5 A -1
H H12C -0.045793 0.349172 0.497603 0.091 Uiso calc U P R 0.5 A -1
C C121 -0.0384(16) 0.4504(7) 0.4952(9) 0.047(6) Uani d U P DG 0.5 A -1
C C122 0.0618(16) 0.4527(7) 0.4762(9) 0.036(5) Uani d U P DG 0.5 A -1
H H122 0.094552 0.411233 0.460806 0.043 Uiso calc U P R 0.5 A -1
C C123 0.1139(15) 0.5158(9) 0.4798(9) 0.056(7) Uani d U P DG 0.5 A -1
H H123 0.18228 0.517329 0.466792 0.067 Uiso calc U P R 0.5 A -1
C C124 0.0659(19) 0.5765(7) 0.5023(10) 0.044(6) Uani d U P DG 0.5 A -1
H H124 0.101488 0.619548 0.504752 0.053 Uiso calc U P R 0.5 A -1
C C125 -0.0342(19) 0.5742(7) 0.5213(10) 0.058(7) Uani d U P DG 0.5 A -1
H H125 -0.067034 0.615671 0.536726 0.07 Uiso calc U P R 0.5 A -1
C C126 -0.0863(15) 0.5111(9) 0.5178(10) 0.052(7) Uani d U P DG 0.5 A -1
H H126 -0.154765 0.509576 0.53074 0.062 Uiso calc U P R 0.5 A -1
C C134 0.453(3) 1.0290(16) 1.0722(11) 0.074(9) Uani d U P D 0.5 B -1
H H13A 0.491344 1.001469 1.097007 0.11 Uiso calc U P R 0.5 B -1
H H13B 0.374262 1.022483 1.070083 0.11 Uiso calc U P R 0.5 B -1
H H13C 0.474009 1.077709 1.086738 0.11 Uiso calc U P R 0.5 B -1
C C135 0.485(2) 1.0067(10) 1.0161(8) 0.062(7) Uani d U P DG 0.5 B -1
C C136 0.5511(18) 1.0474(8) 0.9944(9) 0.041(5) Uani d U P DG 0.5 B -1
H H136 0.574248 1.092299 1.014826 0.049 Uiso calc U P R 0.5 B -1
C C137 0.5835(19) 1.0226(11) 0.9428(9) 0.072(7) Uani d U P DG 0.5 B -1
H H137 0.628694 1.050462 0.927964 0.086 Uiso calc U P R 0.5 B -1
C C138 0.550(2) 0.9570(12) 0.9129(8) 0.073(9) Uani d U P DG 0.5 B -1
H H138 0.57177 0.939991 0.877666 0.088 Uiso calc U P R 0.5 B -1
C C139 0.484(2) 0.9162(9) 0.9347(9) 0.064(7) Uani d U P DG 0.5 B -1
H H139 0.4604 0.871356 0.91423 0.077 Uiso calc U P R 0.5 B -1
C C140 0.4512(19) 0.9411(10) 0.9862(9) 0.055(6) Uani d U P DG 0.5 B -1
H H140 0.405953 0.913192 1.001092 0.066 Uiso calc U P R 0.5 B -1
C C141 0.881(2) 0.1390(12) 0.5142(15) 0.074(9) Uani d U P D 0.5 C -1
H H14A 0.883239 0.155198 0.55434 0.111 Uiso calc U P R 0.5 C -1
H H14B 0.805266 0.134 0.495991 0.111 Uiso calc U P R 0.5 C -1
H H14C 0.920625 0.172506 0.499727 0.111 Uiso calc U P R 0.5 C -1
C C142 0.9343(16) 0.0718(9) 0.5030(10) 0.052(7) Uani d U P DG 0.5 C -1
C C143 1.0444(15) 0.0645(11) 0.5213(10) 0.050(6) Uani d U P DG 0.5 C -1
H H143 1.089872 0.10403 0.537918 0.059 Uiso calc U P R 0.5 C -1
C C144 1.0878(14) -0.0007(13) 0.5154(11) 0.061(7) Uani d U P DG 0.5 C -1
H H144 1.163078 -0.005681 0.527914 0.073 Uiso calc U P R 0.5 C -1
C C145 1.0212(18) -0.0586(10) 0.4911(11) 0.058(7) Uani d U P DG 0.5 C -1
H H145 1.050968 -0.103095 0.487024 0.069 Uiso calc U P R 0.5 C -1
C C146 0.9112(17) -0.0513(10) 0.4727(10) 0.056(7) Uani d U P DG 0.5 C -1
H H146 0.865651 -0.0908 0.456137 0.067 Uiso calc U P R 0.5 C -1
C C147 0.8677(13) 0.0139(11) 0.4787(10) 0.052(7) Uani d U P DG 0.5 C -1
H H147 0.792443 0.018911 0.46614 0.063 Uiso calc U P R 0.5 C -1
Ge Ge1 0.76548(10) 0.09822(6) 0.78665(5) 0.0180(3) Uani d . . . 1 . .
Ge Ge2 0.58732(10) 0.11450(6) 0.69106(5) 0.0184(3) Uani d . . . 1 . .
Ge Ge3 0.48736(10) 0.38081(6) 0.30975(5) 0.0191(3) Uani d . . . 1 . .
Ge Ge4 0.61202(9) 0.39764(6) 0.21467(5) 0.0172(3) Uani d . . . 1 . .
P P1 0.8902(2) 0.01635(14) 0.74499(13) 0.0181(6) Uani d . . . 1 . .
P P2 0.4531(2) 0.14856(15) 0.75392(13) 0.0188(6) Uani d . . . 1 . .
P P3 0.3178(2) 0.34360(14) 0.24769(13) 0.0188(6) Uani d . . . 1 . .
P P4 0.7557(2) 0.48202(13) 0.25743(13) 0.0176(6) Uani d . . . 1 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.39 ?
C1 C6 . 1.39 ?
C1 N1 . 1.436(11) ?
C2 C3 . 1.39 ?
C3 C4 . 1.39 ?
C4 C5 . 1.39 ?
C5 C6 . 1.39 ?
C7 N2 . 1.324(14) ?
C7 N1 . 1.345(14) ?
C7 C8 . 1.512(12) ?
C8 C9 . 1.39 ?
C8 C13 . 1.39 ?
C9 C10 . 1.39 ?
C10 C11 . 1.39 ?
C11 C12 . 1.39 ?
C12 C13 . 1.39 ?
C14 C16 . 1.508(17) ?
C14 C17 . 1.528(18) ?
C14 C15 . 1.533(17) ?
C14 P1 . 1.872(12) ?
C18 C19 . 1.541(16) ?
C18 C20 . 1.543(17) ?
C18 C21 . 1.544(16) ?
C18 P1 . 1.887(13) ?
C22 C23 . 1.39 ?
C22 C27 . 1.39 ?
C23 C24 . 1.39 ?
C24 C25 . 1.39 ?
C25 C26 . 1.39 ?
C26 C27 . 1.39 ?
C27 C28 . 1.481(10) ?
C28 C29 . 1.393(15) ?
C28 Ge1 . 2.046(10) ?
C29 C30 . 1.491(12) ?
C29 Ge2 . 2.057(12) ?
C30 C31 . 1.39 ?
C30 C35 . 1.39 ?
C31 C32 . 1.39 ?
C32 C33 . 1.39 ?
C33 C34 . 1.39 ?
C34 C35 . 1.39 ?
C36 C37 . 1.39 ?
C36 C41 . 1.39 ?
C36 N3 . 1.430(11) ?
C37 C38 . 1.39 ?
C38 C39 . 1.39 ?
C39 C40 . 1.39 ?
C40 C41 . 1.39 ?
C42 N4 . 1.319(14) ?
C42 N3 . 1.359(14) ?
C42 C43 . 1.495(12) ?
C43 C44 . 1.39 ?
C43 C48 . 1.39 ?
C44 C45 . 1.39 ?
C45 C46 . 1.39 ?
C46 C47 . 1.39 ?
C47 C48 . 1.39 ?
C49 C50 . 1.531(18) ?
C49 C51 . 1.543(17) ?
C49 C52 . 1.567(16) ?
C49 P2 . 1.861(12) ?
C53 C55 . 1.513(16) ?
C53 C56 . 1.526(16) ?
C53 C54 . 1.534(15) ?
C53 P2 . 1.874(12) ?
C57 C58 . 1.39 ?
C57 C62 . 1.39 ?
C57 N5 . 1.426(11) ?
C58 C59 . 1.39 ?
C59 C60 . 1.39 ?
C60 C61 . 1.39 ?
C61 C62 . 1.39 ?
C63 N6 . 1.318(15) ?
C63 N5 . 1.369(15) ?
C63 C64 . 1.498(13) ?
C64 C65 . 1.39 ?
C64 C69 . 1.39 ?
C65 C66 . 1.39 ?
C66 C67 . 1.39 ?
C67 C68 . 1.39 ?
C68 C69 . 1.39 ?
C70 C73 . 1.513(16) ?
C70 C71 . 1.565(16) ?
C70 C72 . 1.569(15) ?
C70 P3 . 1.870(11) ?
C74 C77 . 1.521(14) ?
C74 C76 . 1.550(14) ?
C74 C75 . 1.552(15) ?
C74 P3 . 1.878(12) ?
C78 C79 . 1.39 ?
C78 C83 . 1.39 ?
C79 C80 . 1.39 ?
C80 C81 . 1.39 ?
C81 C82 . 1.39 ?
C82 C83 . 1.39 ?
C83 C84 . 1.502(12) ?
C84 C85 . 1.349(16) ?
C84 Ge3 . 2.023(10) ?
C85 C86 . 1.558(9) ?
C85 Ge4 . 2.008(11) ?
C86 C87 . 1.39 ?
C86 C91 . 1.39 ?
C87 C88 . 1.39 ?
C88 C89 . 1.39 ?
C89 C90 . 1.39 ?
C90 C91 . 1.39 ?
C92 C93 . 1.39 ?
C92 C97 . 1.39 ?
C92 N7 . 1.436(10) ?
C93 C94 . 1.39 ?
C94 C95 . 1.39 ?
C95 C96 . 1.39 ?
C96 C97 . 1.39 ?
C98 N8 . 1.321(14) ?
C98 N7 . 1.361(13) ?
C98 C99 . 1.485(12) ?
C99 C100 . 1.39 ?
C99 C104 . 1.39 ?
C100 C101 . 1.39 ?
C101 C102 . 1.39 ?
C102 C103 . 1.39 ?
C103 C104 . 1.39 ?
C105 C106 . 1.533(16) ?
C105 C107 . 1.543(16) ?
C105 C108 . 1.546(17) ?
C105 P4 . 1.877(11) ?
C109 C112 . 1.505(15) ?
C109 C110 . 1.532(17) ?
C109 C111 . 1.559(18) ?
C109 P4 . 1.848(13) ?
C113 C114 . 1.484(13) ?
C114 C115 . 1.39 ?
C114 C119 . 1.39 ?
C115 C116 . 1.39 ?
C116 C117 . 1.39 ?
C117 C118 . 1.39 ?
C118 C119 . 1.39 ?
N1 Ge1 . 2.009(9) ?
N2 P1 . 1.649(10) ?
N3 Ge2 . 2.014(9) ?
N4 P2 . 1.664(9) ?
N5 Ge3 . 2.038(9) ?
N6 P3 . 1.695(9) ?
N7 Ge4 . 1.995(9) ?
N8 P4 . 1.684(10) ?
C120 C121 . 1.481(15) ?
C121 C122 . 1.39 ?
C121 C126 . 1.39 ?
C122 C123 . 1.39 ?
C123 C124 . 1.39 ?
C124 C125 . 1.39 ?
C125 C126 . 1.39 ?
C134 C135 . 1.481(15) ?
C135 C136 . 1.39 ?
C135 C140 . 1.39 ?
C136 C137 . 1.39 ?
C137 C138 . 1.39 ?
C138 C139 . 1.39 ?
C139 C140 . 1.39 ?
C141 C142 . 1.479(15) ?
C142 C143 . 1.39 ?
C142 C147 . 1.39 ?
C143 C144 . 1.39 ?
C144 C145 . 1.39 ?
C145 C146 . 1.39 ?
C146 C147 . 1.39 ?
Ge1 P1 . 2.416(3) ?
Ge2 P2 . 2.439(3) ?
Ge3 P3 . 2.434(3) ?
Ge4 P4 . 2.410(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 120.0 ?
C2 C1 N1 . . 118.8(6) ?
C6 C1 N1 . . 120.9(6) ?
C3 C2 C1 . . 120.0 ?
C2 C3 C4 . . 120.0 ?
C5 C4 C3 . . 120.0 ?
C4 C5 C6 . . 120.0 ?
C5 C6 C1 . . 120.0 ?
N2 C7 N1 . . 124.0(10) ?
N2 C7 C8 . . 116.9(9) ?
N1 C7 C8 . . 119.1(9) ?
C9 C8 C13 . . 120.0 ?
C9 C8 C7 . . 120.5(6) ?
C13 C8 C7 . . 119.4(6) ?
C10 C9 C8 . . 120.0 ?
C9 C10 C11 . . 120.0 ?
C10 C11 C12 . . 120.0 ?
C13 C12 C11 . . 120.0 ?
C12 C13 C8 . . 120.0 ?
C16 C14 C17 . . 108.8(11) ?
C16 C14 C15 . . 109.0(10) ?
C17 C14 C15 . . 108.8(10) ?
C16 C14 P1 . . 113.4(9) ?
C17 C14 P1 . . 110.3(9) ?
C15 C14 P1 . . 106.4(8) ?
C19 C18 C20 . . 109.4(11) ?
C19 C18 C21 . . 107.3(10) ?
C20 C18 C21 . . 111.5(10) ?
C19 C18 P1 . . 107.0(8) ?
C20 C18 P1 . . 108.9(8) ?
C21 C18 P1 . . 112.8(9) ?
C23 C22 C27 . . 120.0 ?
C24 C23 C22 . . 120.0 ?
C23 C24 C25 . . 120.0 ?
C26 C25 C24 . . 120.0 ?
C27 C26 C25 . . 120.0 ?
C26 C27 C22 . . 120.0 ?
C26 C27 C28 . . 120.0(6) ?
C22 C27 C28 . . 120.0(6) ?
C29 C28 C27 . . 122.9(9) ?
C29 C28 Ge1 . . 111.6(7) ?
C27 C28 Ge1 . . 123.1(7) ?
C28 C29 C30 . . 120.3(9) ?
C28 C29 Ge2 . . 116.3(8) ?
C30 C29 Ge2 . . 121.5(7) ?
C31 C30 C35 . . 120.0 ?
C31 C30 C29 . . 119.2(6) ?
C35 C30 C29 . . 120.8(6) ?
C30 C31 C32 . . 120.0 ?
C33 C32 C31 . . 120.0 ?
C34 C33 C32 . . 120.0 ?
C33 C34 C35 . . 120.0 ?
C34 C35 C30 . . 120.0 ?
C37 C36 C41 . . 120.0 ?
C37 C36 N3 . . 120.4(6) ?
C41 C36 N3 . . 119.5(6) ?
C36 C37 C38 . . 120.0 ?
C39 C38 C37 . . 120.0 ?
C38 C39 C40 . . 120.0 ?
C41 C40 C39 . . 120.0 ?
C40 C41 C36 . . 120.0 ?
N4 C42 N3 . . 123.1(10) ?
N4 C42 C43 . . 115.6(9) ?
N3 C42 C43 . . 121.2(9) ?
C44 C43 C48 . . 120.0 ?
C44 C43 C42 . . 117.6(6) ?
C48 C43 C42 . . 122.4(6) ?
C45 C44 C43 . . 120.0 ?
C46 C45 C44 . . 120.0 ?
C45 C46 C47 . . 120.0 ?
C48 C47 C46 . . 120.0 ?
C47 C48 C43 . . 120.0 ?
C50 C49 C51 . . 110.5(10) ?
C50 C49 C52 . . 106.1(10) ?
C51 C49 C52 . . 111.4(10) ?
C50 C49 P2 . . 106.6(8) ?
C51 C49 P2 . . 112.4(8) ?
C52 C49 P2 . . 109.5(8) ?
C55 C53 C56 . . 112.6(10) ?
C55 C53 C54 . . 109.1(9) ?
C56 C53 C54 . . 106.5(9) ?
C55 C53 P2 . . 111.2(8) ?
C56 C53 P2 . . 111.7(8) ?
C54 C53 P2 . . 105.3(8) ?
C58 C57 C62 . . 120.0 ?
C58 C57 N5 . . 120.7(6) ?
C62 C57 N5 . . 119.3(6) ?
C57 C58 C59 . . 120.0 ?
C60 C59 C58 . . 120.0 ?
C61 C60 C59 . . 120.0 ?
C60 C61 C62 . . 120.0 ?
C61 C62 C57 . . 120.0 ?
N6 C63 N5 . . 126.1(11) ?
N6 C63 C64 . . 114.4(10) ?
N5 C63 C64 . . 119.5(10) ?
C65 C64 C69 . . 120.0 ?
C65 C64 C63 . . 117.5(6) ?
C69 C64 C63 . . 122.3(6) ?
C66 C65 C64 . . 120.0 ?
C65 C66 C67 . . 120.0 ?
C68 C67 C66 . . 120.0 ?
C69 C68 C67 . . 120.0 ?
C68 C69 C64 . . 120.0 ?
C73 C70 C71 . . 109.1(10) ?
C73 C70 C72 . . 110.4(9) ?
C71 C70 C72 . . 106.3(9) ?
C73 C70 P3 . . 111.7(8) ?
C71 C70 P3 . . 106.5(7) ?
C72 C70 P3 . . 112.5(7) ?
C77 C74 C76 . . 110.0(9) ?
C77 C74 C75 . . 109.3(8) ?
C76 C74 C75 . . 109.2(9) ?
C77 C74 P3 . . 106.8(8) ?
C76 C74 P3 . . 111.0(7) ?
C75 C74 P3 . . 110.4(8) ?
C79 C78 C83 . . 120.0 ?
C78 C79 C80 . . 120.0 ?
C81 C80 C79 . . 120.0 ?
C80 C81 C82 . . 120.0 ?
C83 C82 C81 . . 120.0 ?
C82 C83 C78 . . 120.0 ?
C82 C83 C84 . . 118.6(6) ?
C78 C83 C84 . . 121.4(6) ?
C85 C84 C83 . . 122.6(9) ?
C85 C84 Ge3 . . 114.9(8) ?
C83 C84 Ge3 . . 122.3(8) ?
C84 C85 C86 . . 122.7(9) ?
C84 C85 Ge4 . . 115.8(7) ?
C86 C85 Ge4 . . 121.4(7) ?
C87 C86 C91 . . 120.0 ?
C87 C86 C85 . . 115.8(6) ?
C91 C86 C85 . . 123.8(6) ?
C86 C87 C88 . . 120.0 ?
C87 C88 C89 . . 120.0 ?
C90 C89 C88 . . 120.0 ?
C91 C90 C89 . . 120.0 ?
C90 C91 C86 . . 120.0 ?
C93 C92 C97 . . 120.0 ?
C93 C92 N7 . . 120.8(5) ?
C97 C92 N7 . . 118.8(5) ?
C92 C93 C94 . . 120.0 ?
C95 C94 C93 . . 120.0 ?
C94 C95 C96 . . 120.0 ?
C95 C96 C97 . . 120.0 ?
C96 C97 C92 . . 120.0 ?
N8 C98 N7 . . 122.3(10) ?
N8 C98 C99 . . 115.3(8) ?
N7 C98 C99 . . 122.3(9) ?
C100 C99 C104 . . 120.0 ?
C100 C99 C98 . . 118.5(6) ?
C104 C99 C98 . . 121.2(6) ?
C99 C100 C101 . . 120.0 ?
C102 C101 C100 . . 120.0 ?
C103 C102 C101 . . 120.0 ?
C102 C103 C104 . . 120.0 ?
C103 C104 C99 . . 120.0 ?
C106 C105 C107 . . 108.4(10) ?
C106 C105 C108 . . 108.5(10) ?
C107 C105 C108 . . 110.4(10) ?
C106 C105 P4 . . 106.8(8) ?
C107 C105 P4 . . 113.8(8) ?
C108 C105 P4 . . 108.8(8) ?
C112 C109 C110 . . 107.5(10) ?
C112 C109 C111 . . 109.8(10) ?
C110 C109 C111 . . 110.0(10) ?
C112 C109 P4 . . 107.5(9) ?
C110 C109 P4 . . 112.3(9) ?
C111 C109 P4 . . 109.7(9) ?
C115 C114 C119 . . 120.0 ?
C115 C114 C113 . . 121.5(9) ?
C119 C114 C113 . . 118.5(9) ?
C114 C115 C116 . . 120.0 ?
C115 C116 C117 . . 120.0 ?
C118 C117 C116 . . 120.0 ?
C117 C118 C119 . . 120.0 ?
C118 C119 C114 . . 120.0 ?
C7 N1 C1 . . 122.3(9) ?
C7 N1 Ge1 . . 120.0(7) ?
C1 N1 Ge1 . . 115.0(6) ?
C7 N2 P1 . . 115.9(8) ?
C42 N3 C36 . . 121.3(9) ?
C42 N3 Ge2 . . 120.2(8) ?
C36 N3 Ge2 . . 115.0(7) ?
C42 N4 P2 . . 117.2(8) ?
C63 N5 C57 . . 121.3(9) ?
C63 N5 Ge3 . . 119.4(8) ?
C57 N5 Ge3 . . 115.6(7) ?
C63 N6 P3 . . 113.2(8) ?
C98 N7 C92 . . 122.4(9) ?
C98 N7 Ge4 . . 122.0(7) ?
C92 N7 Ge4 . . 113.5(6) ?
C98 N8 P4 . . 115.5(7) ?
C122 C121 C126 . . 120.0 ?
C122 C121 C120 . . 122.1(11) ?
C126 C121 C120 . . 117.9(11) ?
C123 C122 C121 . . 120.0 ?
C122 C123 C124 . . 120.0 ?
C125 C124 C123 . . 120.0 ?
C124 C125 C126 . . 120.0 ?
C125 C126 C121 . . 120.0 ?
C136 C135 C140 . . 120.0 ?
C136 C135 C134 . . 122.2(12) ?
C140 C135 C134 . . 117.7(11) ?
C137 C136 C135 . . 120.0 ?
C138 C137 C136 . . 120.0 ?
C139 C138 C137 . . 120.0 ?
C138 C139 C140 . . 120.0 ?
C139 C140 C135 . . 120.0 ?
C143 C142 C147 . . 120.0 ?
C143 C142 C141 . . 121.9(11) ?
C147 C142 C141 . . 117.7(11) ?
C144 C143 C142 . . 120.0 ?
C143 C144 C145 . . 120.0 ?
C146 C145 C144 . . 120.0 ?
C145 C146 C147 . . 120.0 ?
C146 C147 C142 . . 120.0 ?
N1 Ge1 C28 . . 99.7(4) ?
N1 Ge1 P1 . . 78.7(3) ?
C28 Ge1 P1 . . 103.0(3) ?
N3 Ge2 C29 . . 99.4(4) ?
N3 Ge2 P2 . . 79.1(3) ?
C29 Ge2 P2 . . 102.9(3) ?
C84 Ge3 N5 . . 99.3(4) ?
C84 Ge3 P3 . . 103.2(3) ?
N5 Ge3 P3 . . 78.5(3) ?
N7 Ge4 C85 . . 101.7(4) ?
N7 Ge4 P4 . . 78.4(3) ?
C85 Ge4 P4 . . 107.9(4) ?
N2 P1 C14 . . 106.0(5) ?
N2 P1 C18 . . 105.8(5) ?
C14 P1 C18 . . 113.6(5) ?
N2 P1 Ge1 . . 100.2(4) ?
C14 P1 Ge1 . . 103.7(4) ?
C18 P1 Ge1 . . 125.4(4) ?
N4 P2 C49 . . 104.9(5) ?
N4 P2 C53 . . 104.6(5) ?
C49 P2 C53 . . 111.1(5) ?
N4 P2 Ge2 . . 99.0(3) ?
C49 P2 Ge2 . . 105.7(4) ?
C53 P2 Ge2 . . 128.6(4) ?
N6 P3 C70 . . 103.6(5) ?
N6 P3 C74 . . 103.5(5) ?
C70 P3 C74 . . 112.2(5) ?
N6 P3 Ge3 . . 101.3(3) ?
C70 P3 Ge3 . . 105.9(4) ?
C74 P3 Ge3 . . 127.3(4) ?
N8 P4 C109 . . 104.6(5) ?
N8 P4 C105 . . 106.0(5) ?
C109 P4 C105 . . 113.6(5) ?
N8 P4 Ge4 . . 100.3(3) ?
C109 P4 Ge4 . . 125.0(4) ?
C105 P4 Ge4 . . 105.1(4) ?



