# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_scw1631s
_database_code_depnum_ccdc_archive 'CCDC 1879740'
_audit_update_record             
;
2018-11-19 deposited with the CCDC.
2019-01-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H58 Cl2 Ge N3 P Si'
_chemical_formula_iupac          ?
_chemical_formula_weight         855.50

_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                   11.09490(10)
_cell_length_b                   12.63690(10)
_cell_length_c                   17.6502(2)
_cell_angle_alpha                78.2671(5)
_cell_angle_beta                 89.0480(5)
_cell_angle_gamma                65.4174(5)
_cell_volume                     2196.90(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9914
_cell_measurement_theta_min      4.2119
_cell_measurement_theta_max      66.5721
_cell_measurement_temperature    143.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.120
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             900

_exptl_absorpt_coefficient_mu    2.933
_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  0.46
_exptl_absorpt_correction_T_max  0.72

_exptl_special_details           
;
;

_diffrn_ambient_temperature      143.(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            20072
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_theta_min         2.56
_diffrn_reflns_theta_max         66.58
_diffrn_reflns_theta_full        66.58
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.975
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20

_refine_special_details          
;
;

_reflns_number_total             7569
_reflns_number_gt                6904
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_gt          0.0987
_refine_ls_wR_factor_ref         0.1019
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_number_reflns         7569
_refine_ls_number_parameters     498
_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)+(0.0540P)²+1.1184P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.698
_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'
Cl Cl 0.3639 0.7018 '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'
Si Si 0.2541 0.3302 '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'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2016)'
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2016)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2016)'

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 0.6683(2) 0.11607(18) 0.43608(11) 0.0218(4) Uani d . . . 1 . .
C C2 0.5349(2) 0.2033(2) 0.45675(12) 0.0253(4) Uani d . . . 1 . .
H H2A 0.5331 0.2831 0.4479 0.038 Uiso calc U . R 1 . .
H H2B 0.523 0.1777 0.5115 0.038 Uiso calc U . R 1 . .
H H2C 0.4631 0.2052 0.4242 0.038 Uiso calc U . R 1 . .
C C3 0.7798(2) 0.1103(2) 0.48847(13) 0.0326(5) Uani d . . . 1 . .
H H3A 0.8657 0.0566 0.4738 0.049 Uiso calc U . R 1 . .
H H3B 0.7685 0.0803 0.5426 0.049 Uiso calc U . R 1 . .
H H3C 0.7767 0.1902 0.4826 0.049 Uiso calc U . R 1 . .
C C4 0.6652(3) -0.0061(2) 0.44806(13) 0.0322(5) Uani d . . . 1 . .
H H4A 0.6006 -0.0034 0.4096 0.048 Uiso calc U . R 1 . .
H H4B 0.6394 -0.0271 0.5004 0.048 Uiso calc U . R 1 . .
H H4C 0.7536 -0.0661 0.4418 0.048 Uiso calc U . R 1 . .
C C5 0.73426(19) 0.10783(18) 0.29645(11) 0.0180(4) Uani d . . . 1 . .
C C6 0.8008(2) -0.02213(18) 0.29984(12) 0.0226(4) Uani d . . . 1 . .
C C7 0.7379(3) -0.0808(2) 0.26905(13) 0.0299(5) Uani d . . . 1 . .
H H7 0.647 -0.0399 0.2501 0.036 Uiso calc U . R 1 . .
C C8 0.8092(3) -0.1994(2) 0.26640(14) 0.0400(6) Uani d . . . 1 . .
H H8 0.7676 -0.2391 0.244 0.048 Uiso calc U . R 1 . .
C C9 0.9404(3) -0.2607(2) 0.29601(16) 0.0437(7) Uani d . . . 1 . .
H H9 0.9887 -0.3419 0.2934 0.052 Uiso calc U . R 1 . .
C C10 1.0006(3) -0.2038(2) 0.32931(16) 0.0385(6) Uani d . . . 1 . .
H H10 1.0898 -0.2464 0.3511 0.046 Uiso calc U . R 1 . .
C C11 0.9315(2) -0.0847(2) 0.33112(14) 0.0288(5) Uani d . . . 1 . .
H H11 0.9735 -0.0456 0.3539 0.035 Uiso calc U . R 1 . .
C C12 0.7374(2) 0.18512(18) 0.14913(11) 0.0206(4) Uani d . . . 1 . .
C C13 0.7124(2) 0.31072(19) 0.10710(12) 0.0245(4) Uani d . . . 1 . .
H H13A 0.6219 0.366 0.1143 0.037 Uiso calc U . R 1 . .
H H13B 0.7229 0.313 0.0516 0.037 Uiso calc U . R 1 . .
H H13C 0.7763 0.3342 0.1283 0.037 Uiso calc U . R 1 . .
C C14 0.6388(2) 0.1490(2) 0.11405(12) 0.0283(5) Uani d . . . 1 . .
H H14A 0.6583 0.066 0.138 0.042 Uiso calc U . R 1 . .
H H14B 0.6468 0.1573 0.058 0.042 Uiso calc U . R 1 . .
H H14C 0.5482 0.2007 0.1237 0.042 Uiso calc U . R 1 . .
C C15 0.8809(2) 0.1001(2) 0.14142(13) 0.0305(5) Uani d . . . 1 . .
H H15A 0.9417 0.1262 0.1634 0.046 Uiso calc U . R 1 . .
H H15B 0.8953 0.1003 0.0865 0.046 Uiso calc U . R 1 . .
H H15C 0.8977 0.0194 0.1694 0.046 Uiso calc U . R 1 . .
C C16 0.76886(19) 0.44452(17) 0.25019(11) 0.0153(4) Uani d . . . 1 . .
C C17 0.8971(2) 0.37670(17) 0.28744(11) 0.0182(4) Uani d . . . 1 . .
C C18 0.9332(2) 0.26970(19) 0.35470(12) 0.0231(4) Uani d . . . 1 . .
H H18 0.8497 0.2618 0.37 0.028 Uiso calc U . R 1 . .
C C19 1.0005(2) 0.2794(2) 0.42623(13) 0.0302(5) Uani d . . . 1 . .
H H19A 1.0134 0.2114 0.4687 0.045 Uiso calc U . R 1 . .
H H19B 0.9442 0.3536 0.442 0.045 Uiso calc U . R 1 . .
H H19C 1.0869 0.2794 0.4138 0.045 Uiso calc U . R 1 . .
C C20 1.0253(2) 0.1565(2) 0.32844(15) 0.0331(5) Uani d . . . 1 . .
H H20A 0.9805 0.1464 0.2848 0.05 Uiso calc U . R 1 . .
H H20B 1.0471 0.0874 0.3716 0.05 Uiso calc U . R 1 . .
H H20C 1.1071 0.1632 0.3121 0.05 Uiso calc U . R 1 . .
C C21 1.0013(2) 0.40440(19) 0.25911(13) 0.0241(4) Uani d . . . 1 . .
H H21 1.0883 0.3586 0.2837 0.029 Uiso calc U . R 1 . .
C C22 0.9806(2) 0.4966(2) 0.19632(13) 0.0272(5) Uani d . . . 1 . .
H H22 1.0522 0.5154 0.1788 0.033 Uiso calc U . R 1 . .
C C23 0.8552(2) 0.56123(19) 0.15918(12) 0.0233(4) Uani d . . . 1 . .
H H23 0.8418 0.624 0.1155 0.028 Uiso calc U . R 1 . .
C C24 0.7469(2) 0.53705(17) 0.18402(11) 0.0178(4) Uani d . . . 1 . .
C C25 0.6150(2) 0.61218(18) 0.13618(11) 0.0216(4) Uani d . . . 1 . .
H H25 0.5481 0.5827 0.1579 0.026 Uiso calc U . R 1 . .
C C26 0.6256(2) 0.6037(2) 0.05036(12) 0.0296(5) Uani d . . . 1 . .
H H26A 0.6757 0.6475 0.0253 0.044 Uiso calc U . R 1 . .
H H26B 0.5363 0.6382 0.0241 0.044 Uiso calc U . R 1 . .
H H26C 0.6716 0.5198 0.047 0.044 Uiso calc U . R 1 . .
C C27 0.5641(2) 0.7438(2) 0.13921(13) 0.0295(5) Uani d . . . 1 . .
H H27A 0.5578 0.7516 0.1934 0.044 Uiso calc U . R 1 . .
H H27B 0.4761 0.7885 0.1112 0.044 Uiso calc U . R 1 . .
H H27C 0.6258 0.7754 0.115 0.044 Uiso calc U . R 1 . .
C C28 0.4517(2) 0.64784(18) 0.30550(11) 0.0210(4) Uani d . . . 1 . .
C C29 0.3559(2) 0.6689(2) 0.24704(12) 0.0253(4) Uani d . . . 1 . .
H H29 0.3546 0.6036 0.2288 0.03 Uiso calc U . R 1 . .
C C30 0.2632(2) 0.7830(2) 0.21540(15) 0.0355(5) Uani d . . . 1 . .
H H30 0.2003 0.7956 0.1748 0.043 Uiso calc U . R 1 . .
C C31 0.2613(2) 0.8788(2) 0.24248(15) 0.0400(6) Uani d . . . 1 . .
H H31 0.1979 0.9573 0.2203 0.048 Uiso calc U . R 1 . .
C C32 0.3520(3) 0.8601(2) 0.30178(15) 0.0384(6) Uani d . . . 1 . .
H H32 0.3502 0.9257 0.321 0.046 Uiso calc U . R 1 . .
C C33 0.4457(2) 0.7458(2) 0.33352(13) 0.0293(5) Uani d . . . 1 . .
H H33 0.5068 0.7337 0.3749 0.035 Uiso calc U . R 1 . .
C C34 0.67162(19) 0.50740(18) 0.41775(11) 0.0187(4) Uani d . . . 1 . .
C C35 0.7452(2) 0.57490(19) 0.39715(12) 0.0237(4) Uani d . . . 1 . .
H H35 0.7462 0.6093 0.3442 0.028 Uiso calc U . R 1 . .
C C36 0.8164(2) 0.5915(2) 0.45394(13) 0.0286(5) Uani d . . . 1 . .
H H36 0.8658 0.6375 0.4397 0.034 Uiso calc U . R 1 . .
C C37 0.8158(2) 0.5411(2) 0.53162(13) 0.0275(5) Uani d . . . 1 . .
H H37 0.8644 0.5529 0.5704 0.033 Uiso calc U . R 1 . .
C C38 0.7444(2) 0.47381(19) 0.55228(12) 0.0226(4) Uani d . . . 1 . .
H H38 0.7439 0.4393 0.6053 0.027 Uiso calc U . R 1 . .
C C39 0.67349(19) 0.45661(18) 0.49576(11) 0.0192(4) Uani d . . . 1 . .
H H39 0.6254 0.4095 0.5104 0.023 Uiso calc U . R 1 . .
C C40 0.3462(4) 0.0896(4) 0.0785(2) 0.0766(12) Uani d . . . 1 . .
H H40A 0.4103 0.1111 0.0478 0.115 Uiso calc U . R 1 . .
H H40B 0.3688 0.0049 0.0827 0.115 Uiso calc U . R 1 . .
H H40C 0.349 0.1052 0.1304 0.115 Uiso calc U . R 1 . .
C C41 0.2093(3) 0.1627(2) 0.03946(15) 0.0413(6) Uani d . . . 1 . .
C C42 0.1628(3) 0.1287(3) -0.01832(17) 0.0462(7) Uani d . . . 1 . .
H H42 0.2171 0.0558 -0.0326 0.055 Uiso calc U . R 1 . .
C C43 0.0395(3) 0.1979(4) -0.05596(19) 0.0627(9) Uani d . . . 1 . .
H H43 0.0102 0.1727 -0.0963 0.075 Uiso calc U . R 1 . .
C C44 -0.0402(3) 0.3004(4) -0.0368(2) 0.0724(13) Uani d . . . 1 . .
H H44 -0.1262 0.3475 -0.0626 0.087 Uiso calc U . R 1 . .
C C45 0.0054(4) 0.3362(3) 0.0215(3) 0.0752(13) Uani d . . . 1 . .
H H45 -0.0496 0.4094 0.0351 0.09 Uiso calc U . R 1 . .
C C46 0.1297(4) 0.2673(3) 0.06030(19) 0.0563(9) Uani d . . . 1 . .
H H46 0.1593 0.2922 0.1008 0.068 Uiso calc U . R 1 . .
Cl Cl1 0.34485(5) 0.43601(5) 0.14142(3) 0.03198(14) Uani d . . . 1 . .
Cl Cl2 0.39574(6) 0.17195(5) 0.27298(3) 0.03353(14) Uani d . . . 1 . .
Ge Ge1 0.36379(2) 0.36499(2) 0.27344(2) 0.02134(9) Uani d . . . 1 . .
N N1 0.68671(16) 0.16420(14) 0.35429(9) 0.0172(3) Uani d . . . 1 . .
N N2 0.71244(16) 0.19382(14) 0.23178(9) 0.0168(3) Uani d . . . 1 . .
N N3 0.65691(15) 0.42146(14) 0.28171(9) 0.0145(3) Uani d . . . 1 . .
P P1 0.56042(5) 0.49202(4) 0.35019(3) 0.01572(12) Uani d . . . 1 . .
Si Si1 0.60738(5) 0.30681(4) 0.28150(3) 0.01380(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 N1 . 1.494(2) ?
C1 C3 . 1.525(3) ?
C1 C2 . 1.525(3) ?
C1 C4 . 1.531(3) ?
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 N1 . 1.339(3) ?
C5 N2 . 1.352(3) ?
C5 C6 . 1.483(3) ?
C5 Si1 . 2.274(2) ?
C6 C11 . 1.388(3) ?
C6 C7 . 1.393(3) ?
C7 C8 . 1.383(4) ?
C7 H7 . 0.95 ?
C8 C9 . 1.384(4) ?
C8 H8 . 0.95 ?
C9 C10 . 1.376(4) ?
C9 H9 . 0.95 ?
C10 C11 . 1.383(3) ?
C10 H10 . 0.95 ?
C11 H11 . 0.95 ?
C12 N2 . 1.498(2) ?
C12 C13 . 1.519(3) ?
C12 C15 . 1.528(3) ?
C12 C14 . 1.530(3) ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 C17 . 1.407(3) ?
C16 C24 . 1.417(3) ?
C16 N3 . 1.466(2) ?
C17 C21 . 1.398(3) ?
C17 C18 . 1.520(3) ?
C18 C19 . 1.529(3) ?
C18 C20 . 1.531(3) ?
C18 H18 . 1.0 ?
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 C22 . 1.378(3) ?
C21 H21 . 0.95 ?
C22 C23 . 1.378(3) ?
C22 H22 . 0.95 ?
C23 C24 . 1.401(3) ?
C23 H23 . 0.95 ?
C24 C25 . 1.521(3) ?
C25 C27 . 1.530(3) ?
C25 C26 . 1.539(3) ?
C25 H25 . 1.0 ?
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 . 1.398(3) ?
C28 C33 . 1.400(3) ?
C28 P1 . 1.838(2) ?
C29 C30 . 1.381(3) ?
C29 H29 . 0.95 ?
C30 C31 . 1.383(4) ?
C30 H30 . 0.95 ?
C31 C32 . 1.378(4) ?
C31 H31 . 0.95 ?
C32 C33 . 1.387(4) ?
C32 H32 . 0.95 ?
C33 H33 . 0.95 ?
C34 C39 . 1.392(3) ?
C34 C35 . 1.403(3) ?
C34 P1 . 1.8233(19) ?
C35 C36 . 1.387(3) ?
C35 H35 . 0.95 ?
C36 C37 . 1.391(3) ?
C36 H36 . 0.95 ?
C37 C38 . 1.382(3) ?
C37 H37 . 0.95 ?
C38 C39 . 1.385(3) ?
C38 H38 . 0.95 ?
C39 H39 . 0.95 ?
C40 C41 . 1.497(5) ?
C40 H40A . 0.98 ?
C40 H40B . 0.98 ?
C40 H40C . 0.98 ?
C41 C42 . 1.367(4) ?
C41 C46 . 1.371(4) ?
C42 C43 . 1.370(5) ?
C42 H42 . 0.95 ?
C43 C44 . 1.338(6) ?
C43 H43 . 0.95 ?
C44 C45 . 1.384(6) ?
C44 H44 . 0.95 ?
C45 C46 . 1.385(6) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
Cl1 Ge1 . 2.2997(6) ?
Cl2 Ge1 . 2.3162(6) ?
Ge1 Si1 . 2.4863(5) ?
N1 Si1 . 1.8572(17) ?
N2 Si1 . 1.8051(17) ?
N3 P1 . 1.7329(16) ?
N3 Si1 . 1.7509(15) ?
P1 Si1 . 2.7088(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
N1 C1 C3 . . 108.20(16) ?
N1 C1 C2 . . 107.37(16) ?
C3 C1 C2 . . 109.46(18) ?
N1 C1 C4 . . 113.46(17) ?
C3 C1 C4 . . 110.51(19) ?
C2 C1 C4 . . 107.74(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 ?
N1 C5 N2 . . 106.28(17) ?
N1 C5 C6 . . 128.63(18) ?
N2 C5 C6 . . 125.09(18) ?
N1 C5 Si1 . . 54.74(10) ?
N2 C5 Si1 . . 52.53(10) ?
C6 C5 Si1 . . 171.71(14) ?
C11 C6 C7 . . 119.7(2) ?
C11 C6 C5 . . 118.55(18) ?
C7 C6 C5 . . 121.6(2) ?
C8 C7 C6 . . 119.2(2) ?
C8 C7 H7 . . 120.4 ?
C6 C7 H7 . . 120.4 ?
C7 C8 C9 . . 120.8(2) ?
C7 C8 H8 . . 119.6 ?
C9 C8 H8 . . 119.6 ?
C10 C9 C8 . . 119.8(2) ?
C10 C9 H9 . . 120.1 ?
C8 C9 H9 . . 120.1 ?
C9 C10 C11 . . 120.1(2) ?
C9 C10 H10 . . 119.9 ?
C11 C10 H10 . . 119.9 ?
C10 C11 C6 . . 120.3(2) ?
C10 C11 H11 . . 119.9 ?
C6 C11 H11 . . 119.9 ?
N2 C12 C13 . . 104.65(16) ?
N2 C12 C15 . . 111.62(17) ?
C13 C12 C15 . . 109.40(17) ?
N2 C12 C14 . . 110.98(16) ?
C13 C12 C14 . . 108.70(17) ?
C15 C12 C14 . . 111.24(18) ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C12 C14 H14A . . 109.5 ?
C12 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C12 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C12 C15 H15A . . 109.5 ?
C12 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C12 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C17 C16 C24 . . 120.40(17) ?
C17 C16 N3 . . 119.56(16) ?
C24 C16 N3 . . 120.01(17) ?
C21 C17 C16 . . 118.74(18) ?
C21 C17 C18 . . 116.67(18) ?
C16 C17 C18 . . 124.52(16) ?
C17 C18 C19 . . 113.82(17) ?
C17 C18 C20 . . 109.59(18) ?
C19 C18 C20 . . 108.79(17) ?
C17 C18 H18 . . 108.2 ?
C19 C18 H18 . . 108.2 ?
C20 C18 H18 . . 108.2 ?
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 ?
C22 C21 C17 . . 121.5(2) ?
C22 C21 H21 . . 119.3 ?
C17 C21 H21 . . 119.3 ?
C21 C22 C23 . . 119.48(18) ?
C21 C22 H22 . . 120.3 ?
C23 C22 H22 . . 120.3 ?
C22 C23 C24 . . 121.87(19) ?
C22 C23 H23 . . 119.1 ?
C24 C23 H23 . . 119.1 ?
C23 C24 C16 . . 117.98(18) ?
C23 C24 C25 . . 116.54(17) ?
C16 C24 C25 . . 125.47(17) ?
C24 C25 C27 . . 111.58(17) ?
C24 C25 C26 . . 112.02(17) ?
C27 C25 C26 . . 107.77(17) ?
C24 C25 H25 . . 108.5 ?
C27 C25 H25 . . 108.5 ?
C26 C25 H25 . . 108.5 ?
C25 C26 H26A . . 109.5 ?
C25 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C25 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C25 C27 H27A . . 109.5 ?
C25 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C25 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C29 C28 C33 . . 117.6(2) ?
C29 C28 P1 . . 117.67(16) ?
C33 C28 P1 . . 124.11(17) ?
C30 C29 C28 . . 121.1(2) ?
C30 C29 H29 . . 119.5 ?
C28 C29 H29 . . 119.5 ?
C29 C30 C31 . . 120.3(2) ?
C29 C30 H30 . . 119.8 ?
C31 C30 H30 . . 119.8 ?
C32 C31 C30 . . 119.7(2) ?
C32 C31 H31 . . 120.1 ?
C30 C31 H31 . . 120.1 ?
C31 C32 C33 . . 120.1(2) ?
C31 C32 H32 . . 119.9 ?
C33 C32 H32 . . 119.9 ?
C32 C33 C28 . . 121.1(2) ?
C32 C33 H33 . . 119.5 ?
C28 C33 H33 . . 119.5 ?
C39 C34 C35 . . 118.65(18) ?
C39 C34 P1 . . 116.75(14) ?
C35 C34 P1 . . 124.36(15) ?
C36 C35 C34 . . 120.19(19) ?
C36 C35 H35 . . 119.9 ?
C34 C35 H35 . . 119.9 ?
C35 C36 C37 . . 120.28(19) ?
C35 C36 H36 . . 119.9 ?
C37 C36 H36 . . 119.9 ?
C38 C37 C36 . . 119.85(19) ?
C38 C37 H37 . . 120.1 ?
C36 C37 H37 . . 120.1 ?
C37 C38 C39 . . 120.10(19) ?
C37 C38 H38 . . 120.0 ?
C39 C38 H38 . . 120.0 ?
C38 C39 C34 . . 120.93(18) ?
C38 C39 H39 . . 119.5 ?
C34 C39 H39 . . 119.5 ?
C41 C40 H40A . . 109.5 ?
C41 C40 H40B . . 109.5 ?
H40A C40 H40B . . 109.5 ?
C41 C40 H40C . . 109.5 ?
H40A C40 H40C . . 109.5 ?
H40B C40 H40C . . 109.5 ?
C42 C41 C46 . . 119.0(3) ?
C42 C41 C40 . . 121.2(3) ?
C46 C41 C40 . . 119.8(3) ?
C41 C42 C43 . . 121.2(3) ?
C41 C42 H42 . . 119.4 ?
C43 C42 H42 . . 119.4 ?
C44 C43 C42 . . 121.1(3) ?
C44 C43 H43 . . 119.5 ?
C42 C43 H43 . . 119.5 ?
C43 C44 C45 . . 118.4(3) ?
C43 C44 H44 . . 120.8 ?
C45 C44 H44 . . 120.8 ?
C44 C45 C46 . . 121.3(3) ?
C44 C45 H45 . . 119.4 ?
C46 C45 H45 . . 119.4 ?
C41 C46 C45 . . 119.0(3) ?
C41 C46 H46 . . 120.5 ?
C45 C46 H46 . . 120.5 ?
Cl1 Ge1 Cl2 . . 98.18(2) ?
Cl1 Ge1 Si1 . . 92.174(19) ?
Cl2 Ge1 Si1 . . 91.686(19) ?
C5 N1 C1 . . 130.07(17) ?
C5 N1 Si1 . . 89.18(12) ?
C1 N1 Si1 . . 137.04(14) ?
C5 N2 C12 . . 130.62(17) ?
C5 N2 Si1 . . 91.00(12) ?
C12 N2 Si1 . . 136.26(13) ?
C16 N3 P1 . . 123.59(12) ?
C16 N3 Si1 . . 132.96(13) ?
P1 N3 Si1 . . 102.07(8) ?
N3 P1 C34 . . 107.17(8) ?
N3 P1 C28 . . 110.20(8) ?
C34 P1 C28 . . 102.52(9) ?
N3 P1 Si1 . . 39.21(5) ?
C34 P1 Si1 . . 128.09(7) ?
C28 P1 Si1 . . 123.84(7) ?
N3 Si1 N2 . . 114.74(8) ?
N3 Si1 N1 . . 119.78(7) ?
N2 Si1 N1 . . 72.01(7) ?
N3 Si1 C5 . . 129.20(7) ?
N2 Si1 C5 . . 36.48(7) ?
N1 Si1 C5 . . 36.07(7) ?
N3 Si1 Ge1 . . 116.23(6) ?
N2 Si1 Ge1 . . 118.87(5) ?
N1 Si1 Ge1 . . 107.74(5) ?
C5 Si1 Ge1 . . 114.41(5) ?
N3 Si1 P1 . . 38.73(5) ?
N2 Si1 P1 . . 151.75(5) ?
N1 Si1 P1 . . 109.72(5) ?
C5 Si1 P1 . . 141.96(5) ?
Ge1 Si1 P1 . . 88.079(19) ?

####################################################################### 
# 
# 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_scw2082m_0m_5
_database_code_depnum_ccdc_archive 'CCDC 1879744'
_audit_update_record             
;
2018-11-19 deposited with the CCDC.
2019-01-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H37 Cl2 Ge2 N P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         761.68

_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                   10.8060(5)
_cell_length_b                   16.9006(7)
_cell_length_c                   20.7677(9)
_cell_angle_alpha                66.7498(13)
_cell_angle_beta                 89.8652(15)
_cell_angle_gamma                81.2991(16)
_cell_volume                     3437.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9851
_cell_measurement_theta_min      2.4496
_cell_measurement_theta_max      30.1344
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.140
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552

_exptl_absorpt_coefficient_mu    2.024
_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  0.46
_exptl_absorpt_correction_T_max  0.77

_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            22757
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_unetI/netI     0.1107
_diffrn_reflns_theta_min         2.44
_diffrn_reflns_theta_max         31.51
_diffrn_reflns_theta_full        31.51
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       0

_refine_special_details          
;

Refined as a 2-component perfect twin.
;

_reflns_number_total             22757
_reflns_number_gt                14254
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1224
_refine_ls_R_factor_gt           0.0707
_refine_ls_wR_factor_gt          0.1694
_refine_ls_wR_factor_ref         0.2075
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_number_reflns         22757
_refine_ls_number_parameters     783
_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)+(0.1130P)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          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.880
_refine_diff_density_min         -1.638
_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 0.6152(4) 0.7571(2) 0.4607(2) 0.0189(8) Uani d . . . 1 . .
C C2 0.5188(4) 0.7554(3) 0.4145(2) 0.0219(8) Uani d . . . 1 . .
C C3 0.5519(4) 0.7588(3) 0.3485(2) 0.0256(9) Uani d . . . 1 . .
H H3 0.489141 0.758149 0.316872 0.031 Uiso calc U . R 1 . .
C C4 0.6730(4) 0.7630(3) 0.3279(2) 0.0256(9) Uani d . . . 1 . .
H H4 0.693557 0.76366 0.283238 0.031 Uiso calc U . R 1 . .
C C5 0.7637(4) 0.7662(3) 0.3727(2) 0.0252(9) Uani d . . . 1 . .
H H5 0.846734 0.770057 0.358115 0.03 Uiso calc U . R 1 . .
C C6 0.7370(4) 0.7641(3) 0.4391(2) 0.0221(8) Uani d . . . 1 . .
C C7 0.8396(4) 0.7769(3) 0.4827(2) 0.0227(8) Uani d . . . 1 . .
H H7 0.810922 0.762767 0.531239 0.027 Uiso calc U . R 1 . .
C C8 0.9650(4) 0.7171(3) 0.4884(2) 0.0287(9) Uani d . . . 1 . .
H H8A 0.951913 0.656125 0.507378 0.043 Uiso calc U . R 1 . .
H H8B 1.025326 0.724954 0.51963 0.043 Uiso calc U . R 1 . .
H H8C 0.997712 0.7321 0.441684 0.043 Uiso calc U . R 1 . .
C C9 0.8595(4) 0.8731(3) 0.4519(2) 0.0309(10) Uani d . . . 1 . .
H H9A 0.891567 0.887762 0.40514 0.046 Uiso calc U . R 1 . .
H H9B 0.920153 0.881552 0.482716 0.046 Uiso calc U . R 1 . .
H H9C 0.779486 0.911041 0.448457 0.046 Uiso calc U . R 1 . .
C C10 0.3839(4) 0.7536(3) 0.4330(2) 0.0267(9) Uani d . . . 1 . .
H H10 0.378417 0.751204 0.481752 0.032 Uiso calc U . R 1 . .
C C11 0.2996(5) 0.8365(3) 0.3838(3) 0.0384(12) Uani d . . . 1 . .
H H11A 0.331728 0.88763 0.384127 0.058 Uiso calc U . R 1 . .
H H11B 0.214169 0.836933 0.399739 0.058 Uiso calc U . R 1 . .
H H11C 0.298843 0.838393 0.336079 0.058 Uiso calc U . R 1 . .
C C12 0.3376(5) 0.6726(3) 0.4318(3) 0.0341(11) Uani d . . . 1 . .
H H12A 0.340964 0.673863 0.384278 0.051 Uiso calc U . R 1 . .
H H12B 0.250926 0.672464 0.445879 0.051 Uiso calc U . R 1 . .
H H12C 0.391198 0.619871 0.464573 0.051 Uiso calc U . R 1 . .
C C13 0.5594(4) 0.9005(3) 0.6876(2) 0.0241(9) Uani d . . . 1 . .
C C14 0.4467(5) 0.9567(3) 0.6654(2) 0.0301(10) Uani d . . . 1 . .
H H14 0.397921 0.958854 0.626609 0.036 Uiso calc U . R 1 . .
C C15 0.4049(5) 1.0101(3) 0.7002(2) 0.0363(12) Uani d . . . 1 . .
H H15 0.328688 1.05021 0.684431 0.044 Uiso calc U . R 1 . .
C C16 0.4748(5) 1.0047(3) 0.7579(2) 0.0350(11) Uani d . . . 1 . .
H H16 0.446548 1.041257 0.781724 0.042 Uiso calc U . R 1 . .
C C17 0.5837(5) 0.9473(3) 0.7808(2) 0.0374(12) Uani d . . . 1 . .
H H17 0.629933 0.943186 0.821178 0.045 Uiso calc U . R 1 . .
C C18 0.6284(5) 0.8947(3) 0.7459(2) 0.0344(11) Uani d . . . 1 . .
H H18 0.705256 0.855234 0.761741 0.041 Uiso calc U . R 1 . .
C C19 0.7834(4) 0.8516(3) 0.6312(2) 0.0231(8) Uani d . . . 1 . .
C C20 0.8060(5) 0.9371(3) 0.5973(2) 0.0313(10) Uani d . . . 1 . .
H H20 0.73734 0.983706 0.579108 0.038 Uiso calc U . R 1 . .
C C21 0.9270(5) 0.9546(4) 0.5899(3) 0.0397(12) Uani d . . . 1 . .
H H21 0.941437 1.013037 0.566473 0.048 Uiso calc U . R 1 . .
C C22 1.0273(5) 0.8873(4) 0.6164(3) 0.0443(14) Uani d . . . 1 . .
H H22 1.110592 0.89961 0.612357 0.053 Uiso calc U . R 1 . .
C C23 1.0067(5) 0.8019(4) 0.6490(3) 0.0403(12) Uani d . . . 1 . .
H H23 1.075951 0.755532 0.665685 0.048 Uiso calc U . R 1 . .
C C24 0.8860(4) 0.7838(3) 0.6574(2) 0.0301(10) Uani d . . . 1 . .
H H24 0.872402 0.725221 0.68091 0.036 Uiso calc U . R 1 . .
C C25 0.4737(4) 0.5994(3) 0.6114(2) 0.0226(8) Uani d . . . 1 . .
C C26 0.3480(4) 0.6376(3) 0.6081(2) 0.0247(9) Uani d . . . 1 . .
H H26 0.326795 0.698687 0.595726 0.03 Uiso calc U . R 1 . .
C C27 0.2540(4) 0.5857(3) 0.6230(2) 0.0286(9) Uani d . . . 1 . .
H H27 0.168668 0.611662 0.619891 0.034 Uiso calc U . R 1 . .
C C28 0.2853(4) 0.4964(3) 0.6424(3) 0.0334(11) Uani d . . . 1 . .
H H28 0.221185 0.461231 0.652389 0.04 Uiso calc U . R 1 . .
C C29 0.4079(4) 0.4588(3) 0.6472(3) 0.0331(11) Uani d . . . 1 . .
H H29 0.428267 0.397445 0.660827 0.04 Uiso calc U . R 1 . .
C C30 0.5029(5) 0.5086(3) 0.6325(2) 0.0301(10) Uani d . . . 1 . .
H H30 0.587827 0.48133 0.636649 0.036 Uiso calc U . R 1 . .
C C31 0.7352(4) 0.5911(3) 0.5953(2) 0.0220(8) Uani d . . . 1 . .
C C32 0.7416(4) 0.5585(3) 0.5424(2) 0.0237(8) Uani d . . . 1 . .
H H32 0.675797 0.577938 0.506681 0.028 Uiso calc U . R 1 . .
C C33 0.8437(4) 0.4983(3) 0.5422(2) 0.0278(9) Uani d . . . 1 . .
H H33 0.847204 0.476058 0.506634 0.033 Uiso calc U . R 1 . .
C C34 0.9408(4) 0.4701(3) 0.5937(2) 0.0267(9) Uani d . . . 1 . .
H H34 1.010038 0.428191 0.59362 0.032 Uiso calc U . R 1 . .
C C35 0.9369(4) 0.5029(3) 0.6448(2) 0.0255(9) Uani d . . . 1 . .
H H35 1.004323 0.484367 0.679427 0.031 Uiso calc U . R 1 . .
C C36 0.8346(4) 0.5629(3) 0.6459(2) 0.0244(9) Uani d . . . 1 . .
H H36 0.832499 0.584983 0.681527 0.029 Uiso calc U . R 1 . .
C C37 0.8670(4) 0.2675(3) 1.0135(2) 0.0230(8) Uani d . . . 1 . .
C C38 0.9591(4) 0.2855(3) 1.0520(2) 0.0269(9) Uani d . . . 1 . .
C C39 0.9251(5) 0.2944(3) 1.1137(3) 0.0356(11) Uani d . . . 1 . .
H H39 0.985012 0.30827 1.13931 0.043 Uiso calc U . R 1 . .
C C40 0.8087(5) 0.2842(3) 1.1390(3) 0.0371(12) Uani d . . . 1 . .
H H40 0.788809 0.290226 1.181548 0.045 Uiso calc U . R 1 . .
C C41 0.7198(5) 0.2646(3) 1.1013(2) 0.0296(10) Uani d . . . 1 . .
H H41 0.638716 0.257627 1.118307 0.036 Uiso calc U . R 1 . .
C C42 0.7487(4) 0.2553(3) 1.0391(2) 0.0242(9) Uani d . . . 1 . .
C C43 0.6505(4) 0.2287(3) 1.0025(2) 0.0255(9) Uani d . . . 1 . .
H H43 0.677371 0.23834 0.954213 0.031 Uiso calc U . R 1 . .
C C44 0.6466(5) 0.1311(3) 1.0420(2) 0.0333(11) Uani d . . . 1 . .
H H44A 0.609665 0.121016 1.08712 0.05 Uiso calc U . R 1 . .
H H44B 0.731963 0.098224 1.050099 0.05 Uiso calc U . R 1 . .
H H44C 0.595504 0.111632 1.013879 0.05 Uiso calc U . R 1 . .
C C45 0.5188(4) 0.2814(3) 0.9952(2) 0.0331(10) Uani d . . . 1 . .
H H45A 0.487847 0.269851 1.041888 0.05 Uiso calc U . R 1 . .
H H45B 0.462114 0.264328 0.968039 0.05 Uiso calc U . R 1 . .
H H45C 0.522374 0.343852 0.970867 0.05 Uiso calc U . R 1 . .
C C46 1.0922(4) 0.2913(3) 1.0310(2) 0.0302(10) Uani d . . . 1 . .
H H46 1.098559 0.28539 0.985031 0.036 Uiso calc U . R 1 . .
C C47 1.1832(5) 0.2154(4) 1.0852(3) 0.0458(14) Uani d . . . 1 . .
H H47A 1.183516 0.222027 1.130004 0.069 Uiso calc U . R 1 . .
H H47B 1.267945 0.215666 1.068274 0.069 Uiso calc U . R 1 . .
H H47C 1.15622 0.159967 1.091944 0.069 Uiso calc U . R 1 . .
C C48 1.1294(5) 0.3790(4) 1.0211(3) 0.0421(13) Uani d . . . 1 . .
H H48A 1.070505 0.426481 0.98637 0.063 Uiso calc U . R 1 . .
H H48B 1.214421 0.381243 1.004663 0.063 Uiso calc U . R 1 . .
H H48C 1.127214 0.385498 1.065982 0.063 Uiso calc U . R 1 . .
C C49 0.7302(4) 0.4137(3) 0.8737(2) 0.0237(8) Uani d . . . 1 . .
C C50 0.7208(4) 0.4527(3) 0.9223(2) 0.0270(9) Uani d . . . 1 . .
H H50 0.789474 0.441464 0.954864 0.032 Uiso calc U . R 1 . .
C C51 0.6119(5) 0.5078(3) 0.9231(2) 0.0312(10) Uani d . . . 1 . .
H H51 0.605789 0.533683 0.956314 0.037 Uiso calc U . R 1 . .
C C52 0.5123(4) 0.5247(3) 0.8752(2) 0.0300(10) Uani d . . . 1 . .
H H52 0.43722 0.5616 0.876001 0.036 Uiso calc U . R 1 . .
C C53 0.5217(4) 0.4881(3) 0.8265(2) 0.0283(9) Uani d . . . 1 . .
H H53 0.453886 0.501279 0.792931 0.034 Uiso calc U . R 1 . .
C C54 0.6297(4) 0.4319(3) 0.8258(2) 0.0257(9) Uani d . . . 1 . .
H H54 0.634664 0.406084 0.792476 0.031 Uiso calc U . R 1 . .
C C55 0.9893(4) 0.4139(3) 0.8513(2) 0.0215(8) Uani d . . . 1 . .
C C56 1.1169(4) 0.3776(3) 0.8547(2) 0.0271(9) Uani d . . . 1 . .
H H56 1.141402 0.316097 0.871901 0.033 Uiso calc U . R 1 . .
C C57 1.2066(4) 0.4320(3) 0.8329(2) 0.0304(10) Uani d . . . 1 . .
H H57 1.292659 0.407532 0.836325 0.036 Uiso calc U . R 1 . .
C C58 1.1708(4) 0.5228(3) 0.8058(2) 0.0314(10) Uani d . . . 1 . .
H H58 1.232123 0.559984 0.790633 0.038 Uiso calc U . R 1 . .
C C59 1.0459(4) 0.5575(3) 0.8013(2) 0.0285(9) Uani d . . . 1 . .
H H59 1.021695 0.619123 0.782487 0.034 Uiso calc U . R 1 . .
C C60 0.9548(4) 0.5049(3) 0.8234(2) 0.0237(8) Uani d . . . 1 . .
H H60 0.869128 0.530333 0.819735 0.028 Uiso calc U . R 1 . .
C C61 0.9496(4) 0.0771(3) 0.8170(2) 0.0262(9) Uani d . . . 1 . .
C C62 1.0775(5) 0.0501(3) 0.8254(3) 0.0377(12) Uani d . . . 1 . .
H H62 1.128158 0.072379 0.849444 0.045 Uiso calc U . R 1 . .
C C63 1.1332(5) -0.0096(4) 0.7988(3) 0.0445(14) Uani d . . . 1 . .
H H63 1.221382 -0.028604 0.805114 0.053 Uiso calc U . R 1 . .
C C64 1.0590(5) -0.0410(3) 0.7630(3) 0.0397(12) Uani d . . . 1 . .
H H64 1.096326 -0.082065 0.745046 0.048 Uiso calc U . R 1 . .
C C65 0.9322(5) -0.0133(4) 0.7536(3) 0.0399(12) Uani d . . . 1 . .
H H65 0.881945 -0.034249 0.728253 0.048 Uiso calc U . R 1 . .
C C66 0.8767(5) 0.0455(3) 0.7809(2) 0.0349(11) Uani d . . . 1 . .
H H66 0.788421 0.063979 0.774754 0.042 Uiso calc U . R 1 . .
C C67 0.7200(4) 0.1268(3) 0.8704(2) 0.0241(9) Uani d . . . 1 . .
C C68 0.7072(4) 0.0401(3) 0.9114(2) 0.0251(9) Uani d . . . 1 . .
H H68 0.780008 -0.002799 0.930012 0.03 Uiso calc U . R 1 . .
C C69 0.5909(4) 0.0166(3) 0.9249(2) 0.0282(10) Uani d . . . 1 . .
H H69 0.583734 -0.042631 0.951998 0.034 Uiso calc U . R 1 . .
C C70 0.4831(4) 0.0790(3) 0.8993(2) 0.0291(10) Uani d . . . 1 . .
H H70 0.402579 0.062483 0.908635 0.035 Uiso calc U . R 1 . .
C C71 0.4942(4) 0.1655(3) 0.8599(2) 0.0300(10) Uani d . . . 1 . .
H H71 0.421173 0.208638 0.84317 0.036 Uiso calc U . R 1 . .
C C72 0.6117(4) 0.1886(3) 0.8451(2) 0.0285(10) Uani d . . . 1 . .
H H72 0.618572 0.247673 0.817202 0.034 Uiso calc U . R 1 . .
Cl Cl1 0.32974(10) 0.87163(7) 0.54977(6) 0.0276(2) Uani d . . . 1 . .
Cl Cl2 0.41595(10) 0.71113(7) 0.72749(5) 0.0277(2) Uani d . . . 1 . .
Cl Cl3 1.05510(11) 0.28743(7) 0.74896(6) 0.0291(2) Uani d . . . 1 . .
Cl Cl4 1.16726(10) 0.14621(7) 0.93701(6) 0.0273(2) Uani d . . . 1 . .
Ge Ge1 0.53350(4) 0.87814(3) 0.51994(2) 0.02124(11) Uani d . . . 1 . .
Ge Ge2 0.62162(4) 0.68198(3) 0.71336(2) 0.02222(11) Uani d . . . 1 . .
Ge Ge3 0.85061(4) 0.30281(3) 0.76869(2) 0.02374(11) Uani d . . . 1 . .
Ge Ge4 0.96453(4) 0.13324(3) 0.96981(2) 0.02295(11) Uani d . . . 1 . .
N N1 0.5828(3) 0.7572(2) 0.52907(16) 0.0192(7) Uani d . . . 1 . .
N N2 0.8996(3) 0.2564(2) 0.94901(17) 0.0217(7) Uani d . . . 1 . .
P P1 0.62170(11) 0.83338(7) 0.64057(5) 0.0209(2) Uani d . . . 1 . .
P P2 0.59852(10) 0.66455(7) 0.60081(5) 0.0195(2) Uani d . . . 1 . .
P P3 0.87258(10) 0.34181(7) 0.87166(5) 0.0207(2) Uani d . . . 1 . .
P P4 0.87652(11) 0.15375(7) 0.85361(5) 0.0220(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 C6 . 1.396(6) ?
C1 C2 . 1.429(5) ?
C1 N1 . 1.463(5) ?
C2 C3 . 1.396(6) ?
C2 C10 . 1.509(6) ?
C3 C4 . 1.379(6) ?
C3 H3 . 0.95 ?
C4 C5 . 1.375(6) ?
C4 H4 . 0.95 ?
C5 C6 . 1.396(5) ?
C5 H5 . 0.95 ?
C6 C7 . 1.526(5) ?
C7 C8 . 1.537(6) ?
C7 C9 . 1.544(6) ?
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 . 1.524(6) ?
C10 C12 . 1.535(6) ?
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 C14 . 1.380(6) ?
C13 C18 . 1.385(6) ?
C13 P1 . 1.827(4) ?
C14 C15 . 1.389(6) ?
C14 H14 . 0.95 ?
C15 C16 . 1.383(6) ?
C15 H15 . 0.95 ?
C16 C17 . 1.358(7) ?
C16 H16 . 0.95 ?
C17 C18 . 1.389(6) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C19 C20 . 1.395(6) ?
C19 C24 . 1.402(6) ?
C19 P1 . 1.816(4) ?
C20 C21 . 1.379(6) ?
C20 H20 . 0.95 ?
C21 C22 . 1.381(8) ?
C21 H21 . 0.95 ?
C22 C23 . 1.385(8) ?
C22 H22 . 0.95 ?
C23 C24 . 1.379(6) ?
C23 H23 . 0.95 ?
C24 H24 . 0.95 ?
C25 C26 . 1.403(6) ?
C25 C30 . 1.405(6) ?
C25 P2 . 1.826(4) ?
C26 C27 . 1.396(6) ?
C26 H26 . 0.95 ?
C27 C28 . 1.387(6) ?
C27 H27 . 0.95 ?
C28 C29 . 1.366(6) ?
C28 H28 . 0.95 ?
C29 C30 . 1.383(6) ?
C29 H29 . 0.95 ?
C30 H30 . 0.95 ?
C31 C36 . 1.394(6) ?
C31 C32 . 1.408(6) ?
C31 P2 . 1.814(4) ?
C32 C33 . 1.384(6) ?
C32 H32 . 0.95 ?
C33 C34 . 1.386(6) ?
C33 H33 . 0.95 ?
C34 C35 . 1.375(6) ?
C34 H34 . 0.95 ?
C35 C36 . 1.390(6) ?
C35 H35 . 0.95 ?
C36 H36 . 0.95 ?
C37 C42 . 1.397(6) ?
C37 C38 . 1.418(6) ?
C37 N2 . 1.459(5) ?
C38 C39 . 1.389(6) ?
C38 C46 . 1.509(6) ?
C39 C40 . 1.372(7) ?
C39 H39 . 0.95 ?
C40 C41 . 1.395(6) ?
C40 H40 . 0.95 ?
C41 C42 . 1.391(6) ?
C41 H41 . 0.95 ?
C42 C43 . 1.525(6) ?
C43 C44 . 1.533(6) ?
C43 C45 . 1.534(6) ?
C43 H43 . 1.0 ?
C44 H44A . 0.98 ?
C44 H44B . 0.98 ?
C44 H44C . 0.98 ?
C45 H45A . 0.98 ?
C45 H45B . 0.98 ?
C45 H45C . 0.98 ?
C46 C48 . 1.529(6) ?
C46 C47 . 1.538(6) ?
C46 H46 . 1.0 ?
C47 H47A . 0.98 ?
C47 H47B . 0.98 ?
C47 H47C . 0.98 ?
C48 H48A . 0.98 ?
C48 H48B . 0.98 ?
C48 H48C . 0.98 ?
C49 C54 . 1.388(6) ?
C49 C50 . 1.403(6) ?
C49 P3 . 1.822(4) ?
C50 C51 . 1.390(6) ?
C50 H50 . 0.95 ?
C51 C52 . 1.384(6) ?
C51 H51 . 0.95 ?
C52 C53 . 1.375(6) ?
C52 H52 . 0.95 ?
C53 C54 . 1.393(6) ?
C53 H53 . 0.95 ?
C54 H54 . 0.95 ?
C55 C60 . 1.402(5) ?
C55 C56 . 1.411(6) ?
C55 P3 . 1.819(4) ?
C56 C57 . 1.389(6) ?
C56 H56 . 0.95 ?
C57 C58 . 1.399(6) ?
C57 H57 . 0.95 ?
C58 C59 . 1.375(6) ?
C58 H58 . 0.95 ?
C59 C60 . 1.382(6) ?
C59 H59 . 0.95 ?
C60 H60 . 0.95 ?
C61 C62 . 1.378(6) ?
C61 C66 . 1.385(6) ?
C61 P4 . 1.828(4) ?
C62 C63 . 1.393(7) ?
C62 H62 . 0.95 ?
C63 C64 . 1.386(7) ?
C63 H63 . 0.95 ?
C64 C65 . 1.367(7) ?
C64 H64 . 0.95 ?
C65 C66 . 1.390(6) ?
C65 H65 . 0.95 ?
C66 H66 . 0.95 ?
C67 C72 . 1.392(6) ?
C67 C68 . 1.402(6) ?
C67 P4 . 1.815(4) ?
C68 C69 . 1.370(6) ?
C68 H68 . 0.95 ?
C69 C70 . 1.393(6) ?
C69 H69 . 0.95 ?
C70 C71 . 1.388(6) ?
C70 H70 . 0.95 ?
C71 C72 . 1.384(6) ?
C71 H71 . 0.95 ?
C72 H72 . 0.95 ?
Cl1 Ge1 . 2.2929(12) ?
Cl2 Ge2 . 2.2468(12) ?
Cl3 Ge3 . 2.2415(12) ?
Cl4 Ge4 . 2.3091(12) ?
Ge1 N1 . 1.965(3) ?
Ge1 P1 . 2.4604(11) ?
Ge2 P1 . 2.4039(11) ?
Ge2 P2 . 2.4861(11) ?
Ge3 P4 . 2.4118(12) ?
Ge3 P3 . 2.4951(11) ?
Ge4 N2 . 1.964(3) ?
Ge4 P4 . 2.4696(11) ?
N1 P2 . 1.668(3) ?
N2 P3 . 1.672(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
C6 C1 C2 . . 120.4(4) ?
C6 C1 N1 . . 120.3(3) ?
C2 C1 N1 . . 119.1(4) ?
C3 C2 C1 . . 117.7(4) ?
C3 C2 C10 . . 119.4(4) ?
C1 C2 C10 . . 122.9(4) ?
C4 C3 C2 . . 122.0(4) ?
C4 C3 H3 . . 119.0 ?
C2 C3 H3 . . 119.0 ?
C5 C4 C3 . . 119.3(4) ?
C5 C4 H4 . . 120.3 ?
C3 C4 H4 . . 120.3 ?
C4 C5 C6 . . 121.7(4) ?
C4 C5 H5 . . 119.1 ?
C6 C5 H5 . . 119.1 ?
C5 C6 C1 . . 118.8(4) ?
C5 C6 C7 . . 118.4(4) ?
C1 C6 C7 . . 122.7(4) ?
C6 C7 C8 . . 113.0(3) ?
C6 C7 C9 . . 110.3(3) ?
C8 C7 C9 . . 109.6(4) ?
C6 C7 H7 . . 107.9 ?
C8 C7 H7 . . 107.9 ?
C9 C7 H7 . . 107.9 ?
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 . . 110.8(4) ?
C2 C10 C12 . . 111.8(4) ?
C11 C10 C12 . . 110.4(4) ?
C2 C10 H10 . . 107.9 ?
C11 C10 H10 . . 107.9 ?
C12 C10 H10 . . 107.9 ?
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 ?
C14 C13 C18 . . 120.4(4) ?
C14 C13 P1 . . 121.0(3) ?
C18 C13 P1 . . 118.6(4) ?
C13 C14 C15 . . 119.6(4) ?
C13 C14 H14 . . 120.2 ?
C15 C14 H14 . . 120.2 ?
C16 C15 C14 . . 119.7(5) ?
C16 C15 H15 . . 120.1 ?
C14 C15 H15 . . 120.1 ?
C17 C16 C15 . . 120.3(4) ?
C17 C16 H16 . . 119.8 ?
C15 C16 H16 . . 119.8 ?
C16 C17 C18 . . 120.9(5) ?
C16 C17 H17 . . 119.6 ?
C18 C17 H17 . . 119.6 ?
C13 C18 C17 . . 119.0(5) ?
C13 C18 H18 . . 120.5 ?
C17 C18 H18 . . 120.5 ?
C20 C19 C24 . . 118.8(4) ?
C20 C19 P1 . . 118.3(3) ?
C24 C19 P1 . . 122.9(3) ?
C21 C20 C19 . . 120.6(5) ?
C21 C20 H20 . . 119.7 ?
C19 C20 H20 . . 119.7 ?
C20 C21 C22 . . 120.1(5) ?
C20 C21 H21 . . 120.0 ?
C22 C21 H21 . . 120.0 ?
C21 C22 C23 . . 120.1(5) ?
C21 C22 H22 . . 119.9 ?
C23 C22 H22 . . 119.9 ?
C24 C23 C22 . . 120.2(5) ?
C24 C23 H23 . . 119.9 ?
C22 C23 H23 . . 119.9 ?
C23 C24 C19 . . 120.2(4) ?
C23 C24 H24 . . 119.9 ?
C19 C24 H24 . . 119.9 ?
C26 C25 C30 . . 118.9(4) ?
C26 C25 P2 . . 120.2(3) ?
C30 C25 P2 . . 120.4(3) ?
C27 C26 C25 . . 119.9(4) ?
C27 C26 H26 . . 120.1 ?
C25 C26 H26 . . 120.1 ?
C28 C27 C26 . . 120.0(4) ?
C28 C27 H27 . . 120.0 ?
C26 C27 H27 . . 120.0 ?
C29 C28 C27 . . 120.2(4) ?
C29 C28 H28 . . 119.9 ?
C27 C28 H28 . . 119.9 ?
C28 C29 C30 . . 121.0(4) ?
C28 C29 H29 . . 119.5 ?
C30 C29 H29 . . 119.5 ?
C29 C30 C25 . . 119.9(4) ?
C29 C30 H30 . . 120.0 ?
C25 C30 H30 . . 120.0 ?
C36 C31 C32 . . 118.5(4) ?
C36 C31 P2 . . 119.9(3) ?
C32 C31 P2 . . 121.6(3) ?
C33 C32 C31 . . 120.1(4) ?
C33 C32 H32 . . 119.9 ?
C31 C32 H32 . . 119.9 ?
C32 C33 C34 . . 120.4(4) ?
C32 C33 H33 . . 119.8 ?
C34 C33 H33 . . 119.8 ?
C35 C34 C33 . . 120.0(4) ?
C35 C34 H34 . . 120.0 ?
C33 C34 H34 . . 120.0 ?
C34 C35 C36 . . 120.2(4) ?
C34 C35 H35 . . 119.9 ?
C36 C35 H35 . . 119.9 ?
C35 C36 C31 . . 120.7(4) ?
C35 C36 H36 . . 119.7 ?
C31 C36 H36 . . 119.7 ?
C42 C37 C38 . . 120.3(4) ?
C42 C37 N2 . . 120.3(4) ?
C38 C37 N2 . . 119.4(4) ?
C39 C38 C37 . . 117.7(4) ?
C39 C38 C46 . . 119.0(4) ?
C37 C38 C46 . . 123.2(4) ?
C40 C39 C38 . . 122.6(4) ?
C40 C39 H39 . . 118.7 ?
C38 C39 H39 . . 118.7 ?
C39 C40 C41 . . 119.1(4) ?
C39 C40 H40 . . 120.5 ?
C41 C40 H40 . . 120.5 ?
C42 C41 C40 . . 120.6(4) ?
C42 C41 H41 . . 119.7 ?
C40 C41 H41 . . 119.7 ?
C41 C42 C37 . . 119.6(4) ?
C41 C42 C43 . . 118.3(4) ?
C37 C42 C43 . . 122.1(4) ?
C42 C43 C44 . . 109.5(4) ?
C42 C43 C45 . . 113.7(4) ?
C44 C43 C45 . . 109.9(4) ?
C42 C43 H43 . . 107.9 ?
C44 C43 H43 . . 107.9 ?
C45 C43 H43 . . 107.9 ?
C43 C44 H44A . . 109.5 ?
C43 C44 H44B . . 109.5 ?
H44A C44 H44B . . 109.5 ?
C43 C44 H44C . . 109.5 ?
H44A C44 H44C . . 109.5 ?
H44B C44 H44C . . 109.5 ?
C43 C45 H45A . . 109.5 ?
C43 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
C43 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
C38 C46 C48 . . 112.4(4) ?
C38 C46 C47 . . 110.2(4) ?
C48 C46 C47 . . 110.7(4) ?
C38 C46 H46 . . 107.8 ?
C48 C46 H46 . . 107.8 ?
C47 C46 H46 . . 107.8 ?
C46 C47 H47A . . 109.5 ?
C46 C47 H47B . . 109.5 ?
H47A C47 H47B . . 109.5 ?
C46 C47 H47C . . 109.5 ?
H47A C47 H47C . . 109.5 ?
H47B C47 H47C . . 109.5 ?
C46 C48 H48A . . 109.5 ?
C46 C48 H48B . . 109.5 ?
H48A C48 H48B . . 109.5 ?
C46 C48 H48C . . 109.5 ?
H48A C48 H48C . . 109.5 ?
H48B C48 H48C . . 109.5 ?
C54 C49 C50 . . 119.0(4) ?
C54 C49 P3 . . 119.9(3) ?
C50 C49 P3 . . 121.1(3) ?
C51 C50 C49 . . 120.5(4) ?
C51 C50 H50 . . 119.8 ?
C49 C50 H50 . . 119.8 ?
C52 C51 C50 . . 119.7(4) ?
C52 C51 H51 . . 120.2 ?
C50 C51 H51 . . 120.2 ?
C53 C52 C51 . . 120.1(4) ?
C53 C52 H52 . . 119.9 ?
C51 C52 H52 . . 119.9 ?
C52 C53 C54 . . 120.7(4) ?
C52 C53 H53 . . 119.7 ?
C54 C53 H53 . . 119.7 ?
C49 C54 C53 . . 120.0(4) ?
C49 C54 H54 . . 120.0 ?
C53 C54 H54 . . 120.0 ?
C60 C55 C56 . . 119.1(4) ?
C60 C55 P3 . . 121.6(3) ?
C56 C55 P3 . . 118.8(3) ?
C57 C56 C55 . . 119.9(4) ?
C57 C56 H56 . . 120.1 ?
C55 C56 H56 . . 120.1 ?
C56 C57 C58 . . 120.4(4) ?
C56 C57 H57 . . 119.8 ?
C58 C57 H57 . . 119.8 ?
C59 C58 C57 . . 119.3(4) ?
C59 C58 H58 . . 120.4 ?
C57 C58 H58 . . 120.4 ?
C58 C59 C60 . . 121.6(4) ?
C58 C59 H59 . . 119.2 ?
C60 C59 H59 . . 119.2 ?
C59 C60 C55 . . 119.8(4) ?
C59 C60 H60 . . 120.1 ?
C55 C60 H60 . . 120.1 ?
C62 C61 C66 . . 119.4(4) ?
C62 C61 P4 . . 120.3(4) ?
C66 C61 P4 . . 120.3(4) ?
C61 C62 C63 . . 120.5(5) ?
C61 C62 H62 . . 119.8 ?
C63 C62 H62 . . 119.8 ?
C64 C63 C62 . . 119.4(5) ?
C64 C63 H63 . . 120.3 ?
C62 C63 H63 . . 120.3 ?
C65 C64 C63 . . 120.3(5) ?
C65 C64 H64 . . 119.8 ?
C63 C64 H64 . . 119.8 ?
C64 C65 C66 . . 120.1(5) ?
C64 C65 H65 . . 119.9 ?
C66 C65 H65 . . 119.9 ?
C61 C66 C65 . . 120.2(5) ?
C61 C66 H66 . . 119.9 ?
C65 C66 H66 . . 119.9 ?
C72 C67 C68 . . 118.3(4) ?
C72 C67 P4 . . 122.9(3) ?
C68 C67 P4 . . 118.8(3) ?
C69 C68 C67 . . 120.8(4) ?
C69 C68 H68 . . 119.6 ?
C67 C68 H68 . . 119.6 ?
C68 C69 C70 . . 120.4(4) ?
C68 C69 H69 . . 119.8 ?
C70 C69 H69 . . 119.8 ?
C71 C70 C69 . . 119.5(4) ?
C71 C70 H70 . . 120.2 ?
C69 C70 H70 . . 120.2 ?
C72 C71 C70 . . 119.9(4) ?
C72 C71 H71 . . 120.1 ?
C70 C71 H71 . . 120.1 ?
C71 C72 C67 . . 121.0(4) ?
C71 C72 H72 . . 119.5 ?
C67 C72 H72 . . 119.5 ?
N1 Ge1 Cl1 . . 98.52(10) ?
N1 Ge1 P1 . . 88.83(10) ?
Cl1 Ge1 P1 . . 95.42(4) ?
Cl2 Ge2 P1 . . 90.37(4) ?
Cl2 Ge2 P2 . . 96.92(4) ?
P1 Ge2 P2 . . 85.22(4) ?
Cl3 Ge3 P4 . . 90.71(4) ?
Cl3 Ge3 P3 . . 96.44(4) ?
P4 Ge3 P3 . . 85.72(4) ?
N2 Ge4 Cl4 . . 99.11(11) ?
N2 Ge4 P4 . . 89.31(10) ?
Cl4 Ge4 P4 . . 95.97(4) ?
C1 N1 P2 . . 121.0(3) ?
C1 N1 Ge1 . . 109.5(2) ?
P2 N1 Ge1 . . 129.36(19) ?
C37 N2 P3 . . 119.9(3) ?
C37 N2 Ge4 . . 110.3(2) ?
P3 N2 Ge4 . . 129.7(2) ?
C19 P1 C13 . . 102.4(2) ?
C19 P1 Ge2 . . 108.34(14) ?
C13 P1 Ge2 . . 109.65(14) ?
C19 P1 Ge1 . . 105.08(13) ?
C13 P1 Ge1 . . 116.67(14) ?
Ge2 P1 Ge1 . . 113.67(4) ?
N1 P2 C31 . . 109.05(18) ?
N1 P2 C25 . . 115.83(18) ?
C31 P2 C25 . . 102.22(19) ?
N1 P2 Ge2 . . 114.84(12) ?
C31 P2 Ge2 . . 108.05(14) ?
C25 P2 Ge2 . . 105.90(14) ?
N2 P3 C55 . . 114.76(18) ?
N2 P3 C49 . . 109.28(19) ?
C55 P3 C49 . . 102.41(19) ?
N2 P3 Ge3 . . 114.52(13) ?
C55 P3 Ge3 . . 106.52(13) ?
C49 P3 Ge3 . . 108.53(14) ?
C67 P4 C61 . . 103.4(2) ?
C67 P4 Ge3 . . 106.51(14) ?
C61 P4 Ge3 . . 111.90(14) ?
C67 P4 Ge4 . . 103.93(13) ?
C61 P4 Ge4 . . 116.13(14) ?
Ge3 P4 Ge4 . . 113.58(4) ?

####################################################################### 
# 
# 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_scw1568s
_database_code_depnum_ccdc_archive 'CCDC 1879742'
_audit_update_record             
;
2018-11-19 deposited with the CCDC.
2019-01-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H45 Cl Ge2 N P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         818.37

_chemical_melting_point          ?

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

_cell_length_a                   11.7897(2)
_cell_length_b                   16.3455(2)
_cell_length_c                   20.0346(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.3601(8)
_cell_angle_gamma                90
_cell_volume                     3756.35(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8835
_cell_measurement_theta_min      3.53
_cell_measurement_theta_max      66.33
_cell_measurement_temperature    123.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1684

_exptl_absorpt_coefficient_mu    3.668
_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  0.30
_exptl_absorpt_correction_T_max  0.96

_exptl_special_details           
;
;

_diffrn_ambient_temperature      123.(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            70144
_diffrn_reflns_av_R_equivalents  0.1040
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_theta_min         3.53
_diffrn_reflns_theta_max         66.78
_diffrn_reflns_theta_full        66.78
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23

_refine_special_details          
;
;

_reflns_number_total             6637
_reflns_number_gt                5389
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_gt          0.1389
_refine_ls_wR_factor_ref         0.1505
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_number_reflns         6637
_refine_ls_number_parameters     447
_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)+(0.0822P)²+5.6051P] 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         2.358
_refine_diff_density_min         -0.847
_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'
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'
Cl Cl 0.3639 0.7018 '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'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2017)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'

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
Ge Ge1 0.66092(4) 0.52686(3) 0.05374(2) 0.03160(16) Uani d . . . 1 . .
Ge Ge2 0.96035(4) 0.57288(3) -0.01023(2) 0.03362(16) Uani d . . . 1 . .
C C1 0.7515(3) 0.6304(2) 0.1673(2) 0.0303(8) Uani d . . . 1 . .
C C2 0.6995(4) 0.7079(2) 0.1516(2) 0.0320(8) Uani d . . . 1 . .
C C3 0.6646(4) 0.7430(2) 0.0797(2) 0.0360(9) Uani d . . . 1 . .
H H3 0.696083 0.706233 0.048424 0.043 Uiso calc U . R 1 . .
C C4 0.7119(4) 0.8290(3) 0.0737(2) 0.0425(10) Uani d . . . 1 . .
H H4A 0.672279 0.867867 0.097836 0.064 Uiso calc U . R 1 . .
H H4B 0.697951 0.84435 0.025193 0.064 Uiso calc U . R 1 . .
H H4C 0.795843 0.829939 0.094191 0.064 Uiso calc U . R 1 . .
C C5 0.5314(4) 0.7425(3) 0.0565(2) 0.0460(11) Uani d . . . 1 . .
H H5A 0.502429 0.68691 0.060076 0.069 Uiso calc U . R 1 . .
H H5B 0.507952 0.76105 0.008753 0.069 Uiso calc U . R 1 . .
H H5C 0.498653 0.779356 0.085778 0.069 Uiso calc U . R 1 . .
C C6 0.6722(4) 0.7527(3) 0.2049(2) 0.0362(9) Uani d . . . 1 . .
H H6 0.637894 0.80531 0.19545 0.043 Uiso calc U . R 1 . .
C C7 0.6936(4) 0.7230(3) 0.2713(2) 0.0375(9) Uani d . . . 1 . .
H H7 0.678394 0.756036 0.307249 0.045 Uiso calc U . R 1 . .
C C8 0.7370(4) 0.6451(3) 0.2846(2) 0.0377(9) Uani d . . . 1 . .
H H8 0.74855 0.623748 0.329815 0.045 Uiso calc U . R 1 . .
C C9 0.7643(4) 0.5969(2) 0.2332(2) 0.0332(9) Uani d . . . 1 . .
C C10 0.7972(4) 0.5074(3) 0.2493(2) 0.0351(9) Uani d . . . 1 . .
H H10 0.824488 0.484113 0.209602 0.042 Uiso calc U . R 1 . .
C C11 0.6886(4) 0.4601(3) 0.2562(3) 0.0409(10) Uani d . . . 1 . .
H H11A 0.66262 0.480061 0.296357 0.061 Uiso calc U . R 1 . .
H H11B 0.707237 0.401729 0.26188 0.061 Uiso calc U . R 1 . .
H H11C 0.626436 0.468241 0.214897 0.061 Uiso calc U . R 1 . .
C C12 0.8961(4) 0.4985(3) 0.3135(2) 0.0420(10) Uani d . . . 1 . .
H H12A 0.964388 0.529056 0.307254 0.063 Uiso calc U . R 1 . .
H H12B 0.916373 0.440562 0.321026 0.063 Uiso calc U . R 1 . .
H H12C 0.870755 0.52017 0.353294 0.063 Uiso calc U . R 1 . .
C C13 0.7058(4) 0.4601(2) -0.1052(2) 0.0330(9) Uani d . . . 1 . .
C C14 0.7483(4) 0.3804(3) -0.0904(2) 0.0409(10) Uani d . . . 1 . .
H H14 0.805454 0.370369 -0.049282 0.049 Uiso calc U . R 1 . .
C C15 0.7088(4) 0.3168(3) -0.1341(3) 0.0447(11) Uani d . . . 1 . .
H H15 0.740202 0.263505 -0.123839 0.054 Uiso calc U . R 1 . .
C C16 0.6234(4) 0.3301(3) -0.1931(3) 0.0486(12) Uani d . . . 1 . .
H H16 0.594836 0.285722 -0.222876 0.058 Uiso calc U . R 1 . .
C C17 0.5797(4) 0.4072(3) -0.2088(3) 0.0482(11) Uani d . . . 1 . .
H H17 0.521214 0.416168 -0.249526 0.058 Uiso calc U . R 1 . .
C C18 0.6211(4) 0.4728(3) -0.1650(2) 0.0406(10) Uani d . . . 1 . .
H H18 0.591077 0.526273 -0.176377 0.049 Uiso calc U . R 1 . .
C C19 0.6857(4) 0.6359(3) -0.0834(2) 0.0357(9) Uani d . . . 1 . .
C C20 0.7514(4) 0.7007(3) -0.1003(3) 0.0478(11) Uani d . . . 1 . .
H H20 0.833022 0.694551 -0.095563 0.057 Uiso calc U . R 1 . .
C C21 0.6968(5) 0.7747(3) -0.1243(3) 0.0572(13) Uani d . . . 1 . .
H H21 0.741781 0.818668 -0.135484 0.069 Uiso calc U . R 1 . .
C C22 0.5787(5) 0.7841(3) -0.1318(3) 0.0537(13) Uani d . . . 1 . .
H H22 0.54255 0.834819 -0.147127 0.064 Uiso calc U . R 1 . .
C C23 0.5122(5) 0.7196(3) -0.1169(2) 0.0483(11) Uani d . . . 1 . .
H H23 0.430241 0.725365 -0.123385 0.058 Uiso calc U . R 1 . .
C C24 0.5664(4) 0.6460(3) -0.0924(2) 0.0399(10) Uani d . . . 1 . .
H H24 0.520689 0.602185 -0.081672 0.048 Uiso calc U . R 1 . .
C C25 1.0256(4) 0.5334(2) 0.1708(2) 0.0336(9) Uani d . . . 1 . .
C C26 1.0041(4) 0.4490(3) 0.1680(2) 0.0396(10) Uani d . . . 1 . .
H H26 0.941111 0.427756 0.13399 0.048 Uiso calc U . R 1 . .
C C27 1.0736(4) 0.3961(3) 0.2143(3) 0.0481(12) Uani d . . . 1 . .
H H27 1.058074 0.338974 0.212044 0.058 Uiso calc U . R 1 . .
C C28 1.1652(5) 0.4267(3) 0.2636(3) 0.0527(13) Uani d . . . 1 . .
H H28 1.211593 0.39075 0.296035 0.063 Uiso calc U . R 1 . .
C C29 1.1900(4) 0.5101(3) 0.2661(3) 0.0503(12) Uani d . . . 1 . .
H H29 1.25458 0.530578 0.299451 0.06 Uiso calc U . R 1 . .
C C30 1.1204(4) 0.5637(3) 0.2197(2) 0.0395(10) Uani d . . . 1 . .
H H30 1.137436 0.620585 0.221504 0.047 Uiso calc U . R 1 . .
C C31 0.9735(3) 0.7011(2) 0.1283(2) 0.0319(8) Uani d . . . 1 . .
C C32 0.9789(4) 0.7319(3) 0.1939(2) 0.0357(9) Uani d . . . 1 . .
H H32 0.958925 0.697945 0.227937 0.043 Uiso calc U . R 1 . .
C C33 1.0137(4) 0.8126(3) 0.2096(2) 0.0395(10) Uani d . . . 1 . .
H H33 1.01831 0.833176 0.254469 0.047 Uiso calc U . R 1 . .
C C34 1.0414(4) 0.8627(3) 0.1603(2) 0.0425(10) Uani d . . . 1 . .
H H34 1.065271 0.917511 0.171411 0.051 Uiso calc U . R 1 . .
C C35 1.0347(4) 0.8335(3) 0.0950(3) 0.0418(10) Uani d . . . 1 . .
H H35 1.053236 0.868283 0.060996 0.05 Uiso calc U . R 1 . .
C C36 1.0006(4) 0.7527(3) 0.0788(2) 0.0372(9) Uani d . . . 1 . .
H H36 0.995866 0.732697 0.033738 0.045 Uiso calc U . R 1 . .
C C37 0.7636(5) 0.0857(4) 0.0166(3) 0.0597(14) Uani d . . . 1 . .
C C38 0.7754(5) 0.1695(3) 0.0282(3) 0.0532(13) Uani d . . . 1 . .
H H38 0.710941 0.204418 0.010702 0.064 Uiso calc U . R 1 . .
C C39 0.8784(5) 0.2030(3) 0.0644(3) 0.0555(13) Uani d . . . 1 . .
H H39 0.885061 0.260463 0.071259 0.067 Uiso calc U . R 1 . .
C C40 0.9723(6) 0.1525(4) 0.0908(3) 0.0643(15) Uani d . . . 1 . .
H H40 1.043383 0.175145 0.116245 0.077 Uiso calc U . R 1 . .
C C41 0.9625(6) 0.0712(4) 0.0804(3) 0.0630(15) Uani d . . . 1 . .
H H41 1.027377 0.037096 0.098893 0.076 Uiso calc U . R 1 . .
C C42 0.8602(5) 0.0359(3) 0.0432(3) 0.0587(14) Uani d . . . 1 . .
H H42 0.855684 -0.02155 0.035846 0.07 Uiso calc U . R 1 . .
C C43 0.6540(7) 0.0491(5) -0.0243(4) 0.089(2) Uani d . . . 1 . .
H H43A 0.595586 0.047497 0.003427 0.134 Uiso calc U . R 1 . .
H H43B 0.669523 -0.006679 -0.037851 0.134 Uiso calc U . R 1 . .
H H43C 0.62469 0.082221 -0.065418 0.134 Uiso calc U . R 1 . .
Cl Cl1 0.72366(10) 0.39310(6) 0.07479(6) 0.0401(3) Uani d . . . 1 . .
N N1 0.7902(3) 0.58536(19) 0.11313(17) 0.0306(7) Uani d . . . 1 . .
P P1 0.75483(9) 0.54178(6) -0.04339(5) 0.0313(2) Uani d . . . 1 . .
P P2 0.92830(9) 0.59557(6) 0.10596(5) 0.0292(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
Ge1 N1 . 1.954(3) ?
Ge1 Cl1 . 2.3154(11) ?
Ge1 P1 . 2.4631(11) ?
Ge2 P1 . 2.4140(11) ?
Ge2 P2 . 2.4709(11) ?
Ge2 Ge2 3_765 2.5577(9) ?
C1 C9 . 1.405(6) ?
C1 C2 . 1.411(6) ?
C1 N1 . 1.469(5) ?
C2 C6 . 1.393(6) ?
C2 C3 . 1.517(6) ?
C3 C4 . 1.526(6) ?
C3 C5 . 1.531(6) ?
C3 H3 . 1.0 ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C5 H5A . 0.98 ?
C5 H5B . 0.98 ?
C5 H5C . 0.98 ?
C6 C7 . 1.382(6) ?
C6 H6 . 0.95 ?
C7 C8 . 1.376(6) ?
C7 H7 . 0.95 ?
C8 C9 . 1.393(6) ?
C8 H8 . 0.95 ?
C9 C10 . 1.528(6) ?
C10 C11 . 1.529(6) ?
C10 C12 . 1.530(6) ?
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 C18 . 1.388(6) ?
C13 C14 . 1.402(6) ?
C13 P1 . 1.822(4) ?
C14 C15 . 1.370(6) ?
C14 H14 . 0.95 ?
C15 C16 . 1.382(7) ?
C15 H15 . 0.95 ?
C16 C17 . 1.370(7) ?
C16 H16 . 0.95 ?
C17 C18 . 1.400(7) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C19 C24 . 1.387(7) ?
C19 C20 . 1.399(6) ?
C19 P1 . 1.836(4) ?
C20 C21 . 1.402(7) ?
C20 H20 . 0.95 ?
C21 C22 . 1.375(8) ?
C21 H21 . 0.95 ?
C22 C23 . 1.387(8) ?
C22 H22 . 0.95 ?
C23 C24 . 1.396(7) ?
C23 H23 . 0.95 ?
C24 H24 . 0.95 ?
C25 C30 . 1.395(6) ?
C25 C26 . 1.401(6) ?
C25 P2 . 1.830(4) ?
C26 C27 . 1.390(7) ?
C26 H26 . 0.95 ?
C27 C28 . 1.378(8) ?
C27 H27 . 0.95 ?
C28 C29 . 1.393(8) ?
C28 H28 . 0.95 ?
C29 C30 . 1.398(7) ?
C29 H29 . 0.95 ?
C30 H30 . 0.95 ?
C31 C36 . 1.393(6) ?
C31 C32 . 1.395(6) ?
C31 P2 . 1.831(4) ?
C32 C33 . 1.395(6) ?
C32 H32 . 0.95 ?
C33 C34 . 1.379(7) ?
C33 H33 . 0.95 ?
C34 C35 . 1.378(7) ?
C34 H34 . 0.95 ?
C35 C36 . 1.397(6) ?
C35 H35 . 0.95 ?
C36 H36 . 0.95 ?
C37 C38 . 1.391(8) ?
C37 C42 . 1.401(8) ?
C37 C43 . 1.487(9) ?
C38 C39 . 1.376(8) ?
C38 H38 . 0.95 ?
C39 C40 . 1.384(8) ?
C39 H39 . 0.95 ?
C40 C41 . 1.346(9) ?
C40 H40 . 0.95 ?
C41 C42 . 1.389(9) ?
C41 H41 . 0.95 ?
C42 H42 . 0.95 ?
C43 H43A . 0.98 ?
C43 H43B . 0.98 ?
C43 H43C . 0.98 ?
N1 P2 . 1.675(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
N1 Ge1 Cl1 . . 100.35(10) ?
N1 Ge1 P1 . . 90.16(10) ?
Cl1 Ge1 P1 . . 93.12(4) ?
P1 Ge2 P2 . . 85.90(4) ?
P1 Ge2 Ge2 . 3_765 98.88(3) ?
P2 Ge2 Ge2 . 3_765 96.81(3) ?
C9 C1 C2 . . 120.4(4) ?
C9 C1 N1 . . 121.0(4) ?
C2 C1 N1 . . 118.6(3) ?
C6 C2 C1 . . 117.8(4) ?
C6 C2 C3 . . 118.0(4) ?
C1 C2 C3 . . 124.0(4) ?
C2 C3 C4 . . 113.5(4) ?
C2 C3 C5 . . 108.7(4) ?
C4 C3 C5 . . 110.4(4) ?
C2 C3 H3 . . 108.0 ?
C4 C3 H3 . . 108.0 ?
C5 C3 H3 . . 108.0 ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C3 C5 H5A . . 109.5 ?
C3 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C3 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C7 C6 C2 . . 122.0(4) ?
C7 C6 H6 . . 119.0 ?
C2 C6 H6 . . 119.0 ?
C8 C7 C6 . . 119.3(4) ?
C8 C7 H7 . . 120.3 ?
C6 C7 H7 . . 120.3 ?
C7 C8 C9 . . 121.3(4) ?
C7 C8 H8 . . 119.4 ?
C9 C8 H8 . . 119.4 ?
C8 C9 C1 . . 118.8(4) ?
C8 C9 C10 . . 118.4(4) ?
C1 C9 C10 . . 122.6(4) ?
C9 C10 C11 . . 109.1(3) ?
C9 C10 C12 . . 112.1(4) ?
C11 C10 C12 . . 111.5(4) ?
C9 C10 H10 . . 108.0 ?
C11 C10 H10 . . 108.0 ?
C12 C10 H10 . . 108.0 ?
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 ?
C18 C13 C14 . . 118.2(4) ?
C18 C13 P1 . . 122.0(3) ?
C14 C13 P1 . . 119.7(3) ?
C15 C14 C13 . . 121.2(4) ?
C15 C14 H14 . . 119.4 ?
C13 C14 H14 . . 119.4 ?
C14 C15 C16 . . 120.0(5) ?
C14 C15 H15 . . 120.0 ?
C16 C15 H15 . . 120.0 ?
C17 C16 C15 . . 120.1(4) ?
C17 C16 H16 . . 119.9 ?
C15 C16 H16 . . 119.9 ?
C16 C17 C18 . . 120.2(5) ?
C16 C17 H17 . . 119.9 ?
C18 C17 H17 . . 119.9 ?
C13 C18 C17 . . 120.2(4) ?
C13 C18 H18 . . 119.9 ?
C17 C18 H18 . . 119.9 ?
C24 C19 C20 . . 118.7(4) ?
C24 C19 P1 . . 119.4(3) ?
C20 C19 P1 . . 121.7(4) ?
C19 C20 C21 . . 120.0(5) ?
C19 C20 H20 . . 120.0 ?
C21 C20 H20 . . 120.0 ?
C22 C21 C20 . . 120.5(5) ?
C22 C21 H21 . . 119.8 ?
C20 C21 H21 . . 119.8 ?
C21 C22 C23 . . 120.0(5) ?
C21 C22 H22 . . 120.0 ?
C23 C22 H22 . . 120.0 ?
C22 C23 C24 . . 119.7(5) ?
C22 C23 H23 . . 120.1 ?
C24 C23 H23 . . 120.1 ?
C19 C24 C23 . . 121.0(4) ?
C19 C24 H24 . . 119.5 ?
C23 C24 H24 . . 119.5 ?
C30 C25 C26 . . 119.1(4) ?
C30 C25 P2 . . 124.8(3) ?
C26 C25 P2 . . 116.1(3) ?
C27 C26 C25 . . 120.8(5) ?
C27 C26 H26 . . 119.6 ?
C25 C26 H26 . . 119.6 ?
C28 C27 C26 . . 119.7(5) ?
C28 C27 H27 . . 120.1 ?
C26 C27 H27 . . 120.1 ?
C27 C28 C29 . . 120.3(4) ?
C27 C28 H28 . . 119.8 ?
C29 C28 H28 . . 119.8 ?
C28 C29 C30 . . 120.2(5) ?
C28 C29 H29 . . 119.9 ?
C30 C29 H29 . . 119.9 ?
C25 C30 C29 . . 119.7(4) ?
C25 C30 H30 . . 120.1 ?
C29 C30 H30 . . 120.1 ?
C36 C31 C32 . . 118.9(4) ?
C36 C31 P2 . . 119.8(3) ?
C32 C31 P2 . . 121.2(3) ?
C31 C32 C33 . . 120.0(4) ?
C31 C32 H32 . . 120.0 ?
C33 C32 H32 . . 120.0 ?
C34 C33 C32 . . 120.4(4) ?
C34 C33 H33 . . 119.8 ?
C32 C33 H33 . . 119.8 ?
C35 C34 C33 . . 120.2(4) ?
C35 C34 H34 . . 119.9 ?
C33 C34 H34 . . 119.9 ?
C34 C35 C36 . . 119.8(4) ?
C34 C35 H35 . . 120.1 ?
C36 C35 H35 . . 120.1 ?
C31 C36 C35 . . 120.6(4) ?
C31 C36 H36 . . 119.7 ?
C35 C36 H36 . . 119.7 ?
C38 C37 C42 . . 117.9(6) ?
C38 C37 C43 . . 122.0(6) ?
C42 C37 C43 . . 120.1(6) ?
C39 C38 C37 . . 121.4(5) ?
C39 C38 H38 . . 119.3 ?
C37 C38 H38 . . 119.3 ?
C38 C39 C40 . . 119.7(5) ?
C38 C39 H39 . . 120.2 ?
C40 C39 H39 . . 120.2 ?
C41 C40 C39 . . 119.8(6) ?
C41 C40 H40 . . 120.1 ?
C39 C40 H40 . . 120.1 ?
C40 C41 C42 . . 121.8(6) ?
C40 C41 H41 . . 119.1 ?
C42 C41 H41 . . 119.1 ?
C41 C42 C37 . . 119.4(5) ?
C41 C42 H42 . . 120.3 ?
C37 C42 H42 . . 120.3 ?
C37 C43 H43A . . 109.5 ?
C37 C43 H43B . . 109.5 ?
H43A C43 H43B . . 109.5 ?
C37 C43 H43C . . 109.5 ?
H43A C43 H43C . . 109.5 ?
H43B C43 H43C . . 109.5 ?
C1 N1 P2 . . 119.2(3) ?
C1 N1 Ge1 . . 111.3(2) ?
P2 N1 Ge1 . . 129.31(19) ?
C13 P1 C19 . . 106.20(19) ?
C13 P1 Ge2 . . 118.83(14) ?
C19 P1 Ge2 . . 105.03(15) ?
C13 P1 Ge1 . . 109.51(14) ?
C19 P1 Ge1 . . 101.09(14) ?
Ge2 P1 Ge1 . . 114.16(4) ?
N1 P2 C25 . . 110.24(18) ?
N1 P2 C31 . . 107.84(17) ?
C25 P2 C31 . . 104.50(19) ?
N1 P2 Ge2 . . 115.41(12) ?
C25 P2 Ge2 . . 112.24(14) ?
C31 P2 Ge2 . . 105.83(14) ?

####################################################################### 
# 
# 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_scw1721m
_database_code_depnum_ccdc_archive 'CCDC 1879741'
_audit_update_record             
;
2018-11-19 deposited with the CCDC.
2019-01-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H50 N3 P Si'
_chemical_formula_iupac          ?
_chemical_formula_weight         619.88

_chemical_melting_point          ?

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

_cell_length_a                   17.5974(4)
_cell_length_b                   13.0761(4)
_cell_length_c                   31.5626(8)
_cell_angle_alpha                90
_cell_angle_beta                 103.6919(8)
_cell_angle_gamma                90
_cell_volume                     7056.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9600
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      30.92
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.160
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2672

_exptl_absorpt_coefficient_mu    0.143
_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  0.88
_exptl_absorpt_correction_T_max  0.98

_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            203092
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_theta_min         2.53
_diffrn_reflns_theta_max         31.01
_diffrn_reflns_theta_full        31.01
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       45

_refine_special_details          
;
;

_reflns_number_total             22474
_reflns_number_gt                16935
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1230
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_number_reflns         22474
_refine_ls_number_parameters     813
_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)+(0.0417P)²+4.8455P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.144
_refine_diff_density_min         -0.398
_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'
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'
Si Si 0.0817 0.0704 '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., 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2018)'
_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2018)'
_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 0.73525(8) 0.70716(10) 0.67284(5) 0.0163(3) Uani d . . . 1 . .
C C2 0.73403(9) 0.80093(11) 0.64363(5) 0.0218(3) Uani d . . . 1 . .
H H2A 0.766353 0.787643 0.622849 0.033 Uiso calc U . R 1 . .
H H2B 0.754822 0.860208 0.661676 0.033 Uiso calc U . R 1 . .
H H2C 0.680151 0.814963 0.627668 0.033 Uiso calc U . R 1 . .
C C3 0.81805(8) 0.69200(12) 0.70100(5) 0.0221(3) Uani d . . . 1 . .
H H3A 0.819757 0.629822 0.718535 0.033 Uiso calc U . R 1 . .
H H3B 0.832667 0.751038 0.720339 0.033 Uiso calc U . R 1 . .
H H3C 0.854786 0.685424 0.682168 0.033 Uiso calc U . R 1 . .
C C4 0.67836(9) 0.72097(12) 0.70224(5) 0.0219(3) Uani d . . . 1 . .
H H4A 0.625708 0.733777 0.684228 0.033 Uiso calc U . R 1 . .
H H4B 0.695009 0.779152 0.721803 0.033 Uiso calc U . R 1 . .
H H4C 0.677896 0.658829 0.719532 0.033 Uiso calc U . R 1 . .
C C5 0.65172(8) 0.58394(11) 0.61710(5) 0.0161(3) Uani d . . . 1 . .
C C6 0.57491(8) 0.63804(11) 0.60758(5) 0.0194(3) Uani d . . . 1 . .
C C7 0.55781(9) 0.71165(12) 0.57477(5) 0.0247(3) Uani d . . . 1 . .
H H7 0.594265 0.726097 0.557663 0.03 Uiso calc U . R 1 . .
C C8 0.48677(9) 0.76397(14) 0.56722(6) 0.0324(4) Uani d . . . 1 . .
H H8 0.474984 0.81447 0.544984 0.039 Uiso calc U . R 1 . .
C C9 0.43322(9) 0.74268(14) 0.59200(7) 0.0347(4) Uani d . . . 1 . .
H H9 0.385172 0.779021 0.586972 0.042 Uiso calc U . R 1 . .
C C10 0.45009(9) 0.66815(13) 0.62413(6) 0.0300(4) Uani d . . . 1 . .
H H10 0.413088 0.652731 0.640777 0.036 Uiso calc U . R 1 . .
C C11 0.52105(8) 0.61576(12) 0.63214(6) 0.0238(3) Uani d . . . 1 . .
H H11 0.532543 0.565048 0.654289 0.029 Uiso calc U . R 1 . .
C C12 0.62298(8) 0.43455(12) 0.56300(5) 0.0212(3) Uani d . . . 1 . .
C C13 0.62268(11) 0.49102(14) 0.52039(5) 0.0310(4) Uani d . . . 1 . .
H H13A 0.593576 0.555216 0.519412 0.046 Uiso calc U . R 1 . .
H H13B 0.59766 0.44807 0.495548 0.046 Uiso calc U . R 1 . .
H H13C 0.676601 0.50587 0.518959 0.046 Uiso calc U . R 1 . .
C C14 0.53904(9) 0.41444(14) 0.56682(6) 0.0299(4) Uani d . . . 1 . .
H H14A 0.540034 0.384634 0.595436 0.045 Uiso calc U . R 1 . .
H H14B 0.513463 0.366818 0.543875 0.045 Uiso calc U . R 1 . .
H H14C 0.509949 0.478998 0.563593 0.045 Uiso calc U . R 1 . .
C C15 0.66548(9) 0.33223(12) 0.56367(5) 0.0234(3) Uani d . . . 1 . .
H H15A 0.720606 0.344693 0.564195 0.035 Uiso calc U . R 1 . .
H H15B 0.641239 0.292881 0.537543 0.035 Uiso calc U . R 1 . .
H H15C 0.661803 0.293592 0.589721 0.035 Uiso calc U . R 1 . .
C C16 0.91203(8) 0.48979(10) 0.60383(5) 0.0161(3) Uani d . . . 1 . .
C C17 0.91654(9) 0.45934(11) 0.56102(5) 0.0191(3) Uani d . . . 1 . .
C C18 0.84242(9) 0.46056(12) 0.52481(5) 0.0234(3) Uani d . . . 1 . .
H H18 0.797966 0.443021 0.538211 0.028 Uiso calc U . R 1 . .
C C19 0.82771(10) 0.56863(13) 0.50603(5) 0.0269(3) Uani d . . . 1 . .
H H19A 0.822509 0.61613 0.529197 0.04 Uiso calc U . R 1 . .
H H19B 0.779471 0.569247 0.482896 0.04 Uiso calc U . R 1 . .
H H19C 0.871732 0.589719 0.493977 0.04 Uiso calc U . R 1 . .
C C20 0.84189(13) 0.38278(15) 0.48846(6) 0.0380(4) Uani d . . . 1 . .
H H20A 0.880799 0.402546 0.472313 0.057 Uiso calc U . R 1 . .
H H20B 0.78989 0.381226 0.468547 0.057 Uiso calc U . R 1 . .
H H20C 0.85464 0.314815 0.50125 0.057 Uiso calc U . R 1 . .
C C21 0.98801(10) 0.43266(13) 0.55280(5) 0.0259(3) Uani d . . . 1 . .
H H21 0.990078 0.412575 0.52417 0.031 Uiso calc U . R 1 . .
C C22 1.05646(10) 0.43460(14) 0.58534(6) 0.0286(3) Uani d . . . 1 . .
H H22 1.105057 0.416728 0.579179 0.034 Uiso calc U . R 1 . .
C C23 1.05258(9) 0.46305(13) 0.62690(5) 0.0240(3) Uani d . . . 1 . .
H H23 1.099358 0.463936 0.649319 0.029 Uiso calc U . R 1 . .
C C24 0.98232(8) 0.49061(11) 0.63719(5) 0.0175(3) Uani d . . . 1 . .
C C25 0.98484(8) 0.52220(11) 0.68367(5) 0.0186(3) Uani d . . . 1 . .
H H25 0.930243 0.538743 0.685542 0.022 Uiso calc U . R 1 . .
C C26 1.01514(9) 0.43611(12) 0.71604(5) 0.0243(3) Uani d . . . 1 . .
H H26A 0.978389 0.37862 0.710437 0.037 Uiso calc U . R 1 . .
H H26B 1.020036 0.461096 0.745839 0.037 Uiso calc U . R 1 . .
H H26C 1.06641 0.413424 0.712592 0.037 Uiso calc U . R 1 . .
C C27 1.03479(10) 0.61860(13) 0.69606(6) 0.0307(4) Uani d . . . 1 . .
H H27A 1.089017 0.603743 0.695254 0.046 Uiso calc U . R 1 . .
H H27B 1.032927 0.640247 0.725521 0.046 Uiso calc U . R 1 . .
H H27C 1.014353 0.67342 0.675313 0.046 Uiso calc U . R 1 . .
C C28 0.79084(8) 0.27507(10) 0.66679(5) 0.0157(3) Uani d . . . 1 . .
C C29 0.84351(8) 0.26259(11) 0.64000(5) 0.0194(3) Uani d . . . 1 . .
H H29 0.875549 0.318289 0.635723 0.023 Uiso calc U . R 1 . .
C C30 0.84925(9) 0.16956(12) 0.61968(5) 0.0245(3) Uani d . . . 1 . .
H H30 0.885067 0.162148 0.6016 0.029 Uiso calc U . R 1 . .
C C31 0.80291(9) 0.08741(12) 0.62567(5) 0.0259(3) Uani d . . . 1 . .
H H31 0.805812 0.024437 0.611122 0.031 Uiso calc U . R 1 . .
C C32 0.75250(9) 0.09803(12) 0.65299(5) 0.0238(3) Uani d . . . 1 . .
H H32 0.721346 0.041593 0.657503 0.029 Uiso calc U . R 1 . .
C C33 0.74683(8) 0.19019(11) 0.67392(5) 0.0195(3) Uani d . . . 1 . .
H H33 0.712924 0.195716 0.693177 0.023 Uiso calc U . R 1 . .
C C34 0.69229(8) 0.40495(11) 0.70735(5) 0.0167(3) Uani d . . . 1 . .
C C35 0.69040(9) 0.45751(11) 0.74565(5) 0.0199(3) Uani d . . . 1 . .
H H35 0.737232 0.486506 0.762693 0.024 Uiso calc U . R 1 . .
C C36 0.62105(9) 0.46816(13) 0.75928(6) 0.0255(3) Uani d . . . 1 . .
H H36 0.620724 0.504915 0.785203 0.031 Uiso calc U . R 1 . .
C C37 0.55258(9) 0.42506(13) 0.73498(6) 0.0279(3) Uani d . . . 1 . .
H H37 0.505418 0.430984 0.744478 0.033 Uiso calc U . R 1 . .
C C38 0.55321(9) 0.37332(12) 0.69678(6) 0.0256(3) Uani d . . . 1 . .
H H38 0.506125 0.344659 0.679862 0.031 Uiso calc U . R 1 . .
C C39 0.62220(8) 0.36302(12) 0.68302(5) 0.0210(3) Uani d . . . 1 . .
H H39 0.621856 0.327121 0.656807 0.025 Uiso calc U . R 1 . .
C C40 0.11087(8) 0.09141(11) 0.56036(5) 0.0167(3) Uani d . . . 1 . .
C C41 0.10028(8) 0.02686(12) 0.51884(5) 0.0210(3) Uani d . . . 1 . .
H H41A 0.151633 0.005932 0.514896 0.032 Uiso calc U . R 1 . .
H H41B 0.073224 0.067381 0.493652 0.032 Uiso calc U . R 1 . .
H H41C 0.069206 -0.034011 0.521435 0.032 Uiso calc U . R 1 . .
C C42 0.03077(8) 0.11932(12) 0.56817(5) 0.0209(3) Uani d . . . 1 . .
H H42A 0.00044 0.056803 0.568994 0.031 Uiso calc U . R 1 . .
H H42B 0.00278 0.163488 0.54449 0.031 Uiso calc U . R 1 . .
H H42C 0.037827 0.155529 0.596014 0.031 Uiso calc U . R 1 . .
C C43 0.15515(9) 0.18985(11) 0.55576(5) 0.0217(3) Uani d . . . 1 . .
H H43A 0.159985 0.231661 0.582029 0.033 Uiso calc U . R 1 . .
H H43B 0.126451 0.228189 0.530288 0.033 Uiso calc U . R 1 . .
H H43C 0.207384 0.172774 0.552002 0.033 Uiso calc U . R 1 . .
C C44 0.14636(7) -0.05233(10) 0.61666(4) 0.0134(2) Uani d . . . 1 . .
C C45 0.07133(7) -0.10986(10) 0.60939(5) 0.0152(2) Uani d . . . 1 . .
C C46 0.01495(8) -0.08330(11) 0.63184(5) 0.0198(3) Uani d . . . 1 . .
H H46 0.022861 -0.025975 0.650873 0.024 Uiso calc U . R 1 . .
C C47 -0.05311(8) -0.14131(12) 0.62623(6) 0.0242(3) Uani d . . . 1 . .
H H47 -0.091859 -0.123123 0.641322 0.029 Uiso calc U . R 1 . .
C C48 -0.06461(9) -0.22563(12) 0.59866(6) 0.0252(3) Uani d . . . 1 . .
H H48 -0.110747 -0.26558 0.595276 0.03 Uiso calc U . R 1 . .
C C49 -0.00860(9) -0.25142(12) 0.57608(5) 0.0237(3) Uani d . . . 1 . .
H H49 -0.01656 -0.308757 0.557055 0.028 Uiso calc U . R 1 . .
C C50 0.05915(8) -0.19335(11) 0.58129(5) 0.0197(3) Uani d . . . 1 . .
H H50 0.097237 -0.210735 0.565617 0.024 Uiso calc U . R 1 . .
C C51 0.23518(8) -0.16976(10) 0.67305(5) 0.0167(3) Uani d . . . 1 . .
C C52 0.17849(9) -0.18340(13) 0.70248(5) 0.0256(3) Uani d . . . 1 . .
H H52A 0.174586 -0.119186 0.717838 0.038 Uiso calc U . R 1 . .
H H52B 0.197669 -0.237586 0.723779 0.038 Uiso calc U . R 1 . .
H H52C 0.126794 -0.202186 0.684732 0.038 Uiso calc U . R 1 . .
C C53 0.23830(10) -0.26639(12) 0.64623(6) 0.0277(3) Uani d . . . 1 . .
H H53A 0.185089 -0.286256 0.631102 0.042 Uiso calc U . R 1 . .
H H53B 0.262591 -0.321883 0.665629 0.042 Uiso calc U . R 1 . .
H H53C 0.269205 -0.252968 0.624755 0.042 Uiso calc U . R 1 . .
C C54 0.31684(9) -0.14717(12) 0.70110(5) 0.0251(3) Uani d . . . 1 . .
H H54A 0.353552 -0.139588 0.682306 0.038 Uiso calc U . R 1 . .
H H54B 0.33377 -0.203711 0.721532 0.038 Uiso calc U . R 1 . .
H H54C 0.315571 -0.08373 0.717444 0.038 Uiso calc U . R 1 . .
C C55 0.39418(8) 0.03191(11) 0.58678(5) 0.0173(3) Uani d . . . 1 . .
C C56 0.38278(9) 0.05108(12) 0.54126(5) 0.0218(3) Uani d . . . 1 . .
C C57 0.30269(9) 0.03325(13) 0.51174(5) 0.0224(3) Uani d . . . 1 . .
H H57 0.263752 0.050821 0.529091 0.027 Uiso calc U . R 1 . .
C C58 0.29024(10) -0.07956(14) 0.49933(6) 0.0319(4) Uani d . . . 1 . .
H H58A 0.327388 -0.100208 0.48219 0.048 Uiso calc U . R 1 . .
H H58B 0.236702 -0.08963 0.481987 0.048 Uiso calc U . R 1 . .
H H58C 0.298638 -0.12117 0.52586 0.048 Uiso calc U . R 1 . .
C C59 0.28392(11) 0.10081(16) 0.47112(6) 0.0366(4) Uani d . . . 1 . .
H H59A 0.294761 0.172396 0.479621 0.055 Uiso calc U . R 1 . .
H H59B 0.228573 0.093254 0.456384 0.055 Uiso calc U . R 1 . .
H H59C 0.316395 0.08012 0.451299 0.055 Uiso calc U . R 1 . .
C C60 0.44447(10) 0.08468(15) 0.52453(6) 0.0312(4) Uani d . . . 1 . .
H H60 0.436047 0.097484 0.494141 0.037 Uiso calc U . R 1 . .
C C61 0.51830(10) 0.09994(16) 0.55139(6) 0.0361(4) Uani d . . . 1 . .
H H61 0.55982 0.124672 0.539696 0.043 Uiso calc U . R 1 . .
C C62 0.53064(9) 0.07870(14) 0.59536(6) 0.0292(4) Uani d . . . 1 . .
H H62 0.581509 0.087842 0.61357 0.035 Uiso calc U . R 1 . .
C C63 0.47060(8) 0.04414(12) 0.61392(5) 0.0198(3) Uani d . . . 1 . .
C C64 0.48921(8) 0.01899(11) 0.66213(5) 0.0193(3) Uani d . . . 1 . .
H H64 0.439534 -0.002022 0.669851 0.023 Uiso calc U . R 1 . .
C C65 0.52151(11) 0.11254(15) 0.68959(6) 0.0353(4) Uani d . . . 1 . .
H H65A 0.568714 0.1368 0.681354 0.053 Uiso calc U . R 1 . .
H H65B 0.534468 0.093866 0.720542 0.053 Uiso calc U . R 1 . .
H H65C 0.482064 0.166907 0.684482 0.053 Uiso calc U . R 1 . .
C C66 0.54694(12) -0.06956(15) 0.67301(7) 0.0383(4) Uani d . . . 1 . .
H H66A 0.524015 -0.130781 0.657081 0.058 Uiso calc U . R 1 . .
H H66B 0.558551 -0.083103 0.704426 0.058 Uiso calc U . R 1 . .
H H66C 0.595353 -0.051692 0.664516 0.058 Uiso calc U . R 1 . .
C C67 0.29640(8) 0.25987(11) 0.65657(5) 0.0187(3) Uani d . . . 1 . .
C C68 0.26279(9) 0.34952(12) 0.66794(6) 0.0248(3) Uani d . . . 1 . .
H H68 0.234528 0.347743 0.690112 0.03 Uiso calc U . R 1 . .
C C69 0.27036(10) 0.44141(12) 0.64704(6) 0.0311(4) Uani d . . . 1 . .
H H69 0.246517 0.501558 0.654758 0.037 Uiso calc U . R 1 . .
C C70 0.31226(10) 0.44591(13) 0.61517(6) 0.0318(4) Uani d . . . 1 . .
H H70 0.316714 0.508667 0.600782 0.038 Uiso calc U . R 1 . .
C C71 0.34782(9) 0.35810(13) 0.60431(6) 0.0283(3) Uani d . . . 1 . .
H H71 0.377482 0.361031 0.5828 0.034 Uiso calc U . R 1 . .
C C72 0.34011(8) 0.26577(12) 0.62487(5) 0.0228(3) Uani d . . . 1 . .
H H72 0.364767 0.206106 0.617324 0.027 Uiso calc U . R 1 . .
C C73 0.19814(8) 0.14117(11) 0.70104(5) 0.0177(3) Uani d . . . 1 . .
C C74 0.19469(9) 0.08772(11) 0.73884(5) 0.0205(3) Uani d . . . 1 . .
H H74 0.240325 0.054815 0.755301 0.025 Uiso calc U . R 1 . .
C C75 0.12542(9) 0.08187(13) 0.75282(6) 0.0262(3) Uani d . . . 1 . .
H H75 0.123863 0.044438 0.778393 0.031 Uiso calc U . R 1 . .
C C76 0.05869(9) 0.13080(13) 0.72932(6) 0.0280(3) Uani d . . . 1 . .
H H76 0.011399 0.127221 0.738804 0.034 Uiso calc U . R 1 . .
C C77 0.06137(9) 0.18484(12) 0.69200(6) 0.0253(3) Uani d . . . 1 . .
H H77 0.015795 0.21863 0.675967 0.03 Uiso calc U . R 1 . .
C C78 0.13022(8) 0.19001(12) 0.67783(5) 0.0213(3) Uani d . . . 1 . .
H H78 0.13122 0.227125 0.652097 0.026 Uiso calc U . R 1 . .
N N1 0.71755(6) 0.61436(9) 0.64532(4) 0.0153(2) Uani d . . . 1 . .
N N2 0.66872(7) 0.49565(9) 0.60004(4) 0.0167(2) Uani d . . . 1 . .
N N3 0.84117(7) 0.51916(9) 0.61116(4) 0.0172(2) Uani d . . . 1 . .
N N4 0.16043(6) 0.03418(9) 0.59746(4) 0.0143(2) Uani d . . . 1 . .
N N5 0.21410(6) -0.08052(9) 0.64361(4) 0.0140(2) Uani d . . . 1 . .
N N6 0.33210(7) 0.00079(10) 0.60319(4) 0.0176(2) Uani d . . . 1 . .
P P1 0.78726(2) 0.39978(3) 0.69287(2) 0.01409(7) Uani d . . . 1 . .
P P2 0.29149(2) 0.13776(3) 0.68450(2) 0.01548(7) Uani d . . . 1 . .
Si Si1 0.77014(2) 0.50263(3) 0.63327(2) 0.01279(7) Uani d . . . 1 . .
Si Si2 0.26491(2) 0.02746(3) 0.62716(2) 0.01234(7) 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 N1 . 1.4818(18) ?
C1 C4 . 1.528(2) ?
C1 C3 . 1.5295(19) ?
C1 C2 . 1.531(2) ?
C5 N2 . 1.3373(18) ?
C5 N1 . 1.3435(17) ?
C5 C6 . 1.4918(18) ?
C5 Si1 . 2.2868(14) ?
C6 C11 . 1.390(2) ?
C6 C7 . 1.394(2) ?
C7 C8 . 1.395(2) ?
C8 C9 . 1.388(2) ?
C9 C10 . 1.387(2) ?
C10 C11 . 1.394(2) ?
C12 N2 . 1.4858(18) ?
C12 C15 . 1.530(2) ?
C12 C14 . 1.533(2) ?
C12 C13 . 1.533(2) ?
C16 N3 . 1.3757(17) ?
C16 C24 . 1.4221(19) ?
C16 C17 . 1.429(2) ?
C17 C21 . 1.388(2) ?
C17 C18 . 1.517(2) ?
C18 C19 . 1.531(2) ?
C18 C20 . 1.532(2) ?
C21 C22 . 1.386(2) ?
C22 C23 . 1.381(2) ?
C23 C24 . 1.398(2) ?
C24 C25 . 1.515(2) ?
C25 C26 . 1.529(2) ?
C25 C27 . 1.534(2) ?
C28 C33 . 1.4017(19) ?
C28 C29 . 1.404(2) ?
C28 P1 . 1.8345(14) ?
C29 C30 . 1.390(2) ?
C30 C31 . 1.388(2) ?
C31 C32 . 1.383(2) ?
C32 C33 . 1.389(2) ?
C34 C35 . 1.398(2) ?
C34 C39 . 1.401(2) ?
C34 P1 . 1.8353(14) ?
C35 C36 . 1.394(2) ?
C36 C37 . 1.386(2) ?
C37 C38 . 1.385(3) ?
C38 C39 . 1.389(2) ?
C40 N4 . 1.4862(17) ?
C40 C43 . 1.529(2) ?
C40 C42 . 1.5314(19) ?
C40 C41 . 1.533(2) ?
C44 N4 . 1.3338(17) ?
C44 N5 . 1.3419(16) ?
C44 C45 . 1.4895(18) ?
C44 Si2 . 2.2855(13) ?
C45 C50 . 1.391(2) ?
C45 C46 . 1.3927(19) ?
C46 C47 . 1.393(2) ?
C47 C48 . 1.389(2) ?
C48 C49 . 1.388(2) ?
C49 C50 . 1.390(2) ?
C51 N5 . 1.4830(17) ?
C51 C52 . 1.526(2) ?
C51 C54 . 1.5276(19) ?
C51 C53 . 1.529(2) ?
C55 N6 . 1.3766(17) ?
C55 C63 . 1.4221(19) ?
C55 C56 . 1.425(2) ?
C56 C60 . 1.386(2) ?
C56 C57 . 1.512(2) ?
C57 C59 . 1.527(2) ?
C57 C58 . 1.529(2) ?
C60 C61 . 1.388(2) ?
C61 C62 . 1.381(3) ?
C62 C63 . 1.399(2) ?
C63 C64 . 1.515(2) ?
C64 C66 . 1.525(2) ?
C64 C65 . 1.529(2) ?
C67 C68 . 1.398(2) ?
C67 C72 . 1.401(2) ?
C67 P2 . 1.8359(15) ?
C68 C69 . 1.392(2) ?
C69 C70 . 1.382(3) ?
C70 C71 . 1.389(3) ?
C71 C72 . 1.392(2) ?
C73 C74 . 1.397(2) ?
C73 C78 . 1.399(2) ?
C73 P2 . 1.8382(14) ?
C74 C75 . 1.393(2) ?
C75 C76 . 1.388(2) ?
C76 C77 . 1.384(3) ?
C77 C78 . 1.389(2) ?
N1 Si1 . 1.8172(12) ?
N2 Si1 . 1.8458(12) ?
N3 Si1 . 1.5842(12) ?
N4 Si2 . 1.8577(11) ?
N5 Si2 . 1.8118(12) ?
N6 Si2 . 1.5860(12) ?
P1 Si1 . 2.2738(5) ?
P2 Si2 . 2.2747(5) ?

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
N1 C1 C4 . . 112.06(12) ?
N1 C1 C3 . . 105.88(11) ?
C4 C1 C3 . . 109.47(12) ?
N1 C1 C2 . . 109.38(12) ?
C4 C1 C2 . . 110.68(12) ?
C3 C1 C2 . . 109.23(12) ?
N2 C5 N1 . . 106.41(11) ?
N2 C5 C6 . . 127.35(13) ?
N1 C5 C6 . . 126.23(13) ?
N2 C5 Si1 . . 53.82(7) ?
N1 C5 Si1 . . 52.60(7) ?
C6 C5 Si1 . . 178.67(11) ?
C11 C6 C7 . . 120.23(13) ?
C11 C6 C5 . . 119.56(13) ?
C7 C6 C5 . . 120.20(13) ?
C6 C7 C8 . . 119.52(15) ?
C9 C8 C7 . . 120.38(15) ?
C10 C9 C8 . . 119.79(15) ?
C9 C10 C11 . . 120.35(15) ?
C6 C11 C10 . . 119.72(15) ?
N2 C12 C15 . . 106.69(11) ?
N2 C12 C14 . . 112.52(13) ?
C15 C12 C14 . . 109.01(13) ?
N2 C12 C13 . . 108.66(13) ?
C15 C12 C13 . . 109.48(14) ?
C14 C12 C13 . . 110.38(13) ?
N3 C16 C24 . . 122.51(13) ?
N3 C16 C17 . . 119.49(13) ?
C24 C16 C17 . . 117.99(12) ?
C21 C17 C16 . . 120.17(14) ?
C21 C17 C18 . . 121.16(14) ?
C16 C17 C18 . . 118.63(13) ?
C17 C18 C19 . . 109.74(13) ?
C17 C18 C20 . . 114.14(14) ?
C19 C18 C20 . . 110.64(14) ?
C22 C21 C17 . . 121.61(15) ?
C23 C22 C21 . . 118.64(14) ?
C22 C23 C24 . . 122.38(15) ?
C23 C24 C16 . . 119.21(14) ?
C23 C24 C25 . . 118.08(13) ?
C16 C24 C25 . . 122.70(12) ?
C24 C25 C26 . . 111.84(12) ?
C24 C25 C27 . . 110.77(13) ?
C26 C25 C27 . . 110.28(13) ?
C33 C28 C29 . . 118.24(13) ?
C33 C28 P1 . . 123.57(11) ?
C29 C28 P1 . . 118.11(10) ?
C30 C29 C28 . . 120.66(14) ?
C31 C30 C29 . . 120.34(15) ?
C32 C31 C30 . . 119.43(14) ?
C31 C32 C33 . . 120.84(14) ?
C32 C33 C28 . . 120.40(14) ?
C35 C34 C39 . . 117.93(13) ?
C35 C34 P1 . . 116.30(11) ?
C39 C34 P1 . . 125.76(11) ?
C36 C35 C34 . . 121.20(14) ?
C37 C36 C35 . . 119.90(15) ?
C38 C37 C36 . . 119.71(14) ?
C37 C38 C39 . . 120.47(15) ?
C38 C39 C34 . . 120.78(15) ?
N4 C40 C43 . . 106.36(11) ?
N4 C40 C42 . . 112.58(12) ?
C43 C40 C42 . . 108.89(12) ?
N4 C40 C41 . . 109.04(11) ?
C43 C40 C41 . . 110.12(12) ?
C42 C40 C41 . . 109.79(11) ?
N4 C44 N5 . . 106.76(11) ?
N4 C44 C45 . . 127.70(12) ?
N5 C44 C45 . . 125.52(12) ?
N4 C44 Si2 . . 54.37(6) ?
N5 C44 Si2 . . 52.41(6) ?
C45 C44 Si2 . . 176.74(10) ?
C50 C45 C46 . . 119.96(13) ?
C50 C45 C44 . . 119.46(12) ?
C46 C45 C44 . . 120.53(12) ?
C45 C46 C47 . . 119.60(14) ?
C48 C47 C46 . . 120.35(14) ?
C49 C48 C47 . . 119.91(13) ?
C48 C49 C50 . . 120.00(14) ?
C49 C50 C45 . . 120.17(14) ?
N5 C51 C52 . . 111.76(11) ?
N5 C51 C54 . . 105.80(11) ?
C52 C51 C54 . . 109.30(13) ?
N5 C51 C53 . . 109.87(12) ?
C52 C51 C53 . . 110.78(13) ?
C54 C51 C53 . . 109.18(12) ?
N6 C55 C63 . . 121.88(13) ?
N6 C55 C56 . . 119.76(12) ?
C63 C55 C56 . . 118.35(13) ?
C60 C56 C55 . . 120.25(14) ?
C60 C56 C57 . . 120.92(14) ?
C55 C56 C57 . . 118.83(13) ?
C56 C57 C59 . . 114.38(14) ?
C56 C57 C58 . . 111.27(13) ?
C59 C57 C58 . . 110.71(14) ?
C56 C60 C61 . . 121.14(16) ?
C62 C61 C60 . . 119.14(15) ?
C61 C62 C63 . . 122.08(15) ?
C62 C63 C55 . . 118.97(14) ?
C62 C63 C64 . . 119.05(13) ?
C55 C63 C64 . . 121.96(12) ?
C63 C64 C66 . . 111.42(13) ?
C63 C64 C65 . . 111.02(13) ?
C66 C64 C65 . . 109.96(14) ?
C68 C67 C72 . . 118.33(14) ?
C68 C67 P2 . . 122.36(12) ?
C72 C67 P2 . . 119.14(11) ?
C69 C68 C67 . . 120.56(16) ?
C70 C69 C68 . . 120.60(16) ?
C69 C70 C71 . . 119.57(16) ?
C70 C71 C72 . . 120.17(17) ?
C71 C72 C67 . . 120.73(15) ?
C74 C73 C78 . . 118.10(13) ?
C74 C73 P2 . . 116.94(11) ?
C78 C73 P2 . . 124.92(12) ?
C75 C74 C73 . . 121.08(15) ?
C76 C75 C74 . . 119.90(16) ?
C77 C76 C75 . . 119.69(15) ?
C76 C77 C78 . . 120.46(15) ?
C77 C78 C73 . . 120.75(15) ?
C5 N1 C1 . . 131.28(11) ?
C5 N1 Si1 . . 91.44(9) ?
C1 N1 Si1 . . 137.24(9) ?
C5 N2 C12 . . 130.53(12) ?
C5 N2 Si1 . . 90.40(8) ?
C12 N2 Si1 . . 138.12(10) ?
C16 N3 Si1 . . 151.30(11) ?
C44 N4 C40 . . 130.37(11) ?
C44 N4 Si2 . . 89.92(8) ?
C40 N4 Si2 . . 138.37(9) ?
C44 N5 C51 . . 131.77(11) ?
C44 N5 Si2 . . 91.65(8) ?
C51 N5 Si2 . . 136.52(9) ?
C55 N6 Si2 . . 149.55(11) ?
C28 P1 C34 . . 105.93(6) ?
C28 P1 Si1 . . 99.58(5) ?
C34 P1 Si1 . . 103.54(5) ?
C67 P2 C73 . . 105.20(7) ?
C67 P2 Si2 . . 101.16(5) ?
C73 P2 Si2 . . 102.24(5) ?
N3 Si1 N1 . . 118.46(6) ?
N3 Si1 N2 . . 120.93(6) ?
N1 Si1 N2 . . 71.75(5) ?
N3 Si1 P1 . . 118.77(5) ?
N1 Si1 P1 . . 106.07(4) ?
N2 Si1 P1 . . 111.22(4) ?
N3 Si1 C5 . . 127.63(6) ?
N1 Si1 C5 . . 35.97(5) ?
N2 Si1 C5 . . 35.79(5) ?
P1 Si1 C5 . . 113.27(4) ?
N6 Si2 N5 . . 116.08(6) ?
N6 Si2 N4 . . 122.03(6) ?
N5 Si2 N4 . . 71.63(5) ?
N6 Si2 P2 . . 118.87(5) ?
N5 Si2 P2 . . 106.77(4) ?
N4 Si2 P2 . . 111.34(4) ?
N6 Si2 C44 . . 126.05(6) ?
N5 Si2 C44 . . 35.94(5) ?
N4 Si2 C44 . . 35.70(5) ?
P2 Si2 C44 . . 114.43(4) ?

