#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:03:50 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290131 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/07/1570748.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1570748
loop_
_publ_author_name
'Sarkar, Debotra'
'Dutta, Sayan'
'Hanusch, Franziska'
'Koley, Debasis'
'Inoue, Shigeyoshi'
_publ_section_title
;
 Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported
 heavier nitrile ylides.
;
_journal_issue                   7
_journal_name_full               'Chemical science'
_journal_page_first              2391
_journal_page_last               2397
_journal_paper_doi               10.1039/d3sc06430a
_journal_volume                  15
_journal_year                    2024
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C55 H63 Ge N2 P5 Si, C4 H10 O'
_chemical_formula_sum            'C59 H73 Ge N2 O P5 Si'
_chemical_formula_weight         1081.74
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_update_record
;
2023-10-10 deposited with the CCDC.	2024-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                91.771(12)
_cell_angle_beta                 105.725(16)
_cell_angle_gamma                107.874(9)
_cell_formula_units_Z            2
_cell_length_a                   13.130(4)
_cell_length_b                   13.510(4)
_cell_length_c                   17.559(5)
_cell_measurement_reflns_used    9689
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.6692
_cell_measurement_theta_min      2.3642
_cell_volume                     2831.2(15)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'APEX III Control Software (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-201n (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CMOS plate'
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Photon CMOS'
_diffrn_measurement_method       'phi- and omega-rotation'
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            122085
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.71
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.358
_exptl_crystal_size_mid          0.311
_exptl_crystal_size_min          0.196
_refine_diff_density_max         1.577
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         10752
_refine_ls_number_restraints     85
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[Σ²(FO²)+(0.0300P)²+3.4791P] WHERE P=(FO²+2FC²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0814
_reflns_number_gt                9563
_reflns_number_total             10752
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            d3sc06430a2.cif
_cod_data_source_block           Compound_4
_cod_depositor_comments
'Adding full bibliography for 1570745--1570748.cif.'
_cod_database_code               1570748
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge Uani 0.35462(2) 0.38999(2) 0.19495(2) 1.000 0.0142(1) d . . .
P1 P Uani 0.45074(4) 0.40365(4) 0.32396(3) 1.000 0.0172(2) d . . .
P2 P Uani 0.27211(5) 0.22061(4) 0.12102(3) 1.000 0.0190(2) d . . .
P3 P Uani 0.43888(5) 0.42142(4) 0.08898(3) 1.000 0.0209(2) d . . .
P4 P Uani 0.28901(5) 0.29548(5) 0.01174(3) 1.000 0.0222(2) d . . .
P5 P Uani 0.42775(5) 0.25330(5) 0.08386(3) 1.000 0.0226(2) d . . .
Si1 Si Uani 0.54265(4) 0.29932(4) 0.30994(3) 1.000 0.0143(2) d . . .
N1 N Uani 0.68954(14) 0.44030(13) 0.22609(10) 1.000 0.0149(5) d . . .
N2 N Uani 0.68407(14) 0.28044(13) 0.21165(10) 1.000 0.0165(5) d . . .
C1 C Uani 0.61752(17) 0.26570(15) 0.40943(12) 1.000 0.0158(6) d . . .
O1 O Uiso -0.0044(6) -0.0023(8) 0.5030(5) 0.500 0.0330(5) d DUP A -1
C2 C Uani 0.71652(17) 0.33563(16) 0.46221(12) 1.000 0.0165(6) d . . .
C3 C Uani 0.76437(18) 0.30815(17) 0.53615(13) 1.000 0.0213(6) d . . .
C4 C Uani 0.71656(18) 0.21148(18) 0.55904(13) 1.000 0.0238(7) d . . .
C5 C Uani 0.61975(18) 0.14153(17) 0.50782(13) 1.000 0.0214(6) d . . .
C6 C Uani 0.56905(17) 0.16723(16) 0.43430(12) 1.000 0.0173(6) d . . .
C7 C Uani 0.77753(16) 0.44138(15) 0.44319(12) 1.000 0.0163(5) d . . .
C8 C Uani 0.86115(16) 0.45200(16) 0.40534(12) 1.000 0.0176(6) d . . .
C9 C Uani 0.91894(17) 0.55111(17) 0.39068(12) 1.000 0.0201(6) d . . .
C10 C Uani 0.89910(17) 0.64087(16) 0.41471(13) 1.000 0.0220(6) d . . .
C11 C Uani 0.81897(18) 0.62920(17) 0.45472(13) 1.000 0.0216(6) d . . .
C12 C Uani 0.75786(17) 0.53120(16) 0.46965(12) 1.000 0.0190(6) d . . .
C13 C Uani 0.89370(18) 0.35971(17) 0.38320(13) 1.000 0.0225(6) d . . .
C14 C Uani 0.9626(2) 0.74731(18) 0.39716(16) 1.000 0.0322(8) d . . .
C15 C Uani 0.67562(19) 0.52359(18) 0.51654(13) 1.000 0.0244(6) d . . .
C16 C Uani 0.46306(17) 0.08938(15) 0.38126(12) 1.000 0.0179(6) d . . .
C17 C Uani 0.46763(19) 0.00788(16) 0.33217(13) 1.000 0.0223(6) d . . .
C18 C Uani 0.3697(2) -0.05500(17) 0.27583(14) 1.000 0.0272(7) d . . .
C19 C Uani 0.2675(2) -0.04110(18) 0.26839(14) 1.000 0.0291(7) d . . .
C20 C Uani 0.26330(19) 0.03385(18) 0.32256(14) 1.000 0.0259(7) d . . .
C21 C Uani 0.35873(18) 0.09890(16) 0.37915(12) 1.000 0.0195(6) d . . .
C22 C Uani 0.5750(2) -0.01551(18) 0.34070(15) 1.000 0.0296(7) d . . .
C23 C Uani 0.1630(2) -0.1043(2) 0.20414(17) 1.000 0.0462(9) d . . .
C24 C Uani 0.34941(18) 0.17537(18) 0.43896(13) 1.000 0.0236(7) d . . .
C25 C Uani 0.25236(17) 0.47226(16) 0.19690(11) 1.000 0.0159(6) d . . .
C26 C Uani 0.13868(17) 0.42287(16) 0.19028(12) 1.000 0.0180(6) d . . .
C27 C Uani 0.07489(18) 0.48104(17) 0.20850(13) 1.000 0.0233(6) d . . .
C28 C Uani 0.12160(19) 0.58797(18) 0.23206(14) 1.000 0.0266(7) d . . .
C29 C Uani 0.23207(19) 0.63796(17) 0.23518(14) 1.000 0.0240(6) d . . .
C30 C Uani 0.29781(17) 0.58185(16) 0.21741(12) 1.000 0.0179(6) d . . .
C31 C Uani 0.07984(16) 0.30851(16) 0.16094(12) 1.000 0.0175(6) d . . .
C32 C Uani 0.06883(17) 0.23370(16) 0.21445(12) 1.000 0.0188(6) d . . .
C33 C Uani 0.00971(17) 0.12863(16) 0.18431(13) 1.000 0.0211(6) d . . .
C34 C Uani -0.03766(18) 0.09625(17) 0.10318(13) 1.000 0.0223(7) d . . .
C35 C Uani -0.02692(17) 0.17144(17) 0.05119(13) 1.000 0.0217(6) d . . .
C36 C Uani 0.03076(17) 0.27721(17) 0.07858(12) 1.000 0.0190(6) d . . .
C37 C Uani 0.12073(19) 0.26583(18) 0.30285(13) 1.000 0.0240(6) d . . .
C38 C Uani -0.0993(2) -0.01833(18) 0.07191(16) 1.000 0.0333(8) d . . .
C39 C Uani 0.03781(19) 0.35678(18) 0.01984(13) 1.000 0.0253(7) d . . .
C40 C Uani 0.41446(17) 0.64335(15) 0.21751(12) 1.000 0.0170(6) d . . .
C41 C Uani 0.49991(17) 0.68460(15) 0.28925(12) 1.000 0.0175(6) d . . .
C42 C Uani 0.60596(18) 0.74465(16) 0.28634(13) 1.000 0.0199(6) d . . .
C43 C Uani 0.62897(18) 0.76720(16) 0.21522(14) 1.000 0.0226(6) d . . .
C44 C Uani 0.54254(19) 0.72811(16) 0.14475(13) 1.000 0.0231(6) d . . .
C45 C Uani 0.43562(18) 0.66710(16) 0.14442(13) 1.000 0.0207(6) d . . .
C46 C Uani 0.47881(19) 0.66830(17) 0.36880(13) 1.000 0.0230(7) d . . .
C47 C Uani 0.7437(2) 0.8332(2) 0.21331(16) 1.000 0.0345(8) d . . .
C48 C Uani 0.3430(2) 0.63192(19) 0.06706(13) 1.000 0.0286(7) d . . .
C49 C Uani 0.64972(16) 0.34614(15) 0.25055(11) 1.000 0.0152(5) d . . .
C50 C Uani 0.74757(16) 0.43359(16) 0.17208(12) 1.000 0.0169(5) d . . .
C51 C Uani 0.74425(16) 0.33252(16) 0.16290(12) 1.000 0.0171(6) d . . .
C52 C Uani 0.67449(18) 0.53835(15) 0.25034(12) 1.000 0.0187(6) d . . .
C53 C Uani 0.79830(19) 0.52590(18) 0.13431(13) 1.000 0.0248(7) d . . .
C54 C Uani 0.79011(18) 0.27782(18) 0.11240(13) 1.000 0.0230(7) d . . .
C55 C Uani 0.6613(2) 0.16873(16) 0.21852(14) 1.000 0.0254(7) d . . .
O2 O Uani 0.4857(6) -0.0180(3) -0.0082(4) 0.500 0.0725(11) d DUP B -1
C56 C Uani -0.1151(5) 0.0572(6) 0.4008(4) 0.500 0.0377(11) d DUP A -1
C57 C Uani -0.0011(4) 0.0522(4) 0.4328(3) 0.500 0.0321(6) d DUP A -1
C58 C Uani 0.1094(4) -0.0048(4) 0.5413(3) 0.500 0.0302(6) d DUP A -1
C59 C Uani 0.0946(6) -0.0705(6) 0.6128(4) 0.500 0.0370(11) d DUP A -1
C60 C Uani 0.3544(8) -0.0429(7) 0.0614(6) 0.500 0.0677(17) d DUP B -1
C61 C Uani 0.4556(6) -0.0671(5) 0.0591(4) 0.500 0.0725(14) d DUP B -1
C62 C Uani 0.6076(5) 0.0055(5) 0.0080(4) 0.500 0.0717(14) d DUP B -1
C63 C Uani 0.6325(8) 0.0631(6) -0.0652(5) 0.500 0.0669(16) d DUP B -1
H1 H Uiso 0.481(2) 0.2055(18) 0.2623(14) 1.000 0.023(6) d . . .
H3 H Uiso 0.83080 0.35643 0.57140 1.000 0.0260 c RU . .
H4 H Uiso 0.75010 0.19361 0.60943 1.000 0.0290 c RU . .
H5 H Uiso 0.58736 0.07496 0.52303 1.000 0.0260 c RU . .
H9 H Uiso 0.97364 0.55770 0.36341 1.000 0.0240 c RU . .
H11 H Uiso 0.80536 0.68976 0.47245 1.000 0.0260 c RU . .
H13A H Uiso 0.83078 0.29492 0.37669 1.000 0.0340 c RU . .
H13B H Uiso 0.95856 0.35650 0.42549 1.000 0.0340 c RU . .
H13C H Uiso 0.91291 0.36775 0.33305 1.000 0.0340 c RU . .
H14A H Uiso 0.95513 0.74483 0.34001 1.000 0.0480 c RU . .
H14B H Uiso 1.04188 0.76636 0.42747 1.000 0.0480 c RU . .
H14C H Uiso 0.93182 0.79968 0.41264 1.000 0.0480 c RU . .
H15A H Uiso 0.66677 0.59225 0.52449 1.000 0.0370 c RU . .
H15B H Uiso 0.70357 0.50128 0.56846 1.000 0.0370 c RU . .
H15C H Uiso 0.60306 0.47230 0.48713 1.000 0.0370 c RU . .
H18 H Uiso 0.37326 -0.10888 0.24157 1.000 0.0330 c RU . .
H20 H Uiso 0.19283 0.04071 0.32073 1.000 0.0310 c RU . .
H22A H Uiso 0.57463 -0.04461 0.28877 1.000 0.0440 c RU . .
H22B H Uiso 0.58138 -0.06641 0.37878 1.000 0.0440 c RU . .
H22C H Uiso 0.63875 0.04928 0.36010 1.000 0.0440 c RU . .
H23A H Uiso 0.14202 -0.05941 0.16418 1.000 0.0690 c RU . .
H23B H Uiso 0.10199 -0.13233 0.22775 1.000 0.0690 c RU . .
H23C H Uiso 0.17696 -0.16239 0.17865 1.000 0.0690 c RU . .
H24A H Uiso 0.38812 0.24707 0.43105 1.000 0.0350 c RU . .
H24B H Uiso 0.38378 0.16256 0.49302 1.000 0.0350 c RU . .
H24C H Uiso 0.27026 0.16625 0.43176 1.000 0.0350 c RU . .
H27 H Uiso -0.00155 0.44671 0.20465 1.000 0.0280 c RU . .
H28 H Uiso 0.07837 0.62660 0.24591 1.000 0.0320 c RU . .
H29 H Uiso 0.26370 0.71169 0.24965 1.000 0.0290 c RU . .
H33 H Uiso 0.00174 0.07791 0.22047 1.000 0.0250 c RU . .
H35 H Uiso -0.05972 0.15030 -0.00451 1.000 0.0260 c RU . .
H37A H Uiso 0.20245 0.29263 0.31508 1.000 0.0360 c RU . .
H37B H Uiso 0.09921 0.20503 0.33116 1.000 0.0360 c RU . .
H37C H Uiso 0.09431 0.32074 0.31987 1.000 0.0360 c RU . .
H38A H Uiso -0.17821 -0.03516 0.06975 1.000 0.0500 c RU . .
H38B H Uiso -0.06566 -0.06173 0.10746 1.000 0.0500 c RU . .
H38C H Uiso -0.09391 -0.03230 0.01829 1.000 0.0500 c RU . .
H39A H Uiso 0.00213 0.32055 -0.03460 1.000 0.0380 c RU . .
H39B H Uiso 0.11658 0.39606 0.02621 1.000 0.0380 c RU . .
H39C H Uiso -0.00070 0.40529 0.02984 1.000 0.0380 c RU . .
H42 H Uiso 0.66446 0.77099 0.33492 1.000 0.0240 c RU . .
H44 H Uiso 0.55681 0.74344 0.09545 1.000 0.0280 c RU . .
H46A H Uiso 0.45387 0.72447 0.38554 1.000 0.0340 c RU . .
H46B H Uiso 0.54809 0.66934 0.40844 1.000 0.0340 c RU . .
H46C H Uiso 0.42074 0.60049 0.36418 1.000 0.0340 c RU . .
H47A H Uiso 0.76656 0.79835 0.17424 1.000 0.0520 c RU . .
H47B H Uiso 0.79744 0.84212 0.26621 1.000 0.0520 c RU . .
H47C H Uiso 0.74179 0.90197 0.19826 1.000 0.0520 c RU . .
H48A H Uiso 0.37436 0.64884 0.02252 1.000 0.0430 c RU . .
H48B H Uiso 0.28839 0.66793 0.06611 1.000 0.0430 c RU . .
H48C H Uiso 0.30603 0.55604 0.06210 1.000 0.0430 c RU . .
H52A H Uiso 0.62911 0.56021 0.20417 1.000 0.0280 c RU . .
H52B H Uiso 0.74781 0.59286 0.27122 1.000 0.0280 c RU . .
H52C H Uiso 0.63648 0.52756 0.29184 1.000 0.0280 c RU . .
H53A H Uiso 0.83698 0.50550 0.09915 1.000 0.0370 c RU . .
H53B H Uiso 0.85202 0.58184 0.17584 1.000 0.0370 c RU . .
H53C H Uiso 0.73926 0.55110 0.10308 1.000 0.0370 c RU . .
H54A H Uiso 0.72855 0.22217 0.07488 1.000 0.0350 c RU . .
H54B H Uiso 0.84198 0.24714 0.14642 1.000 0.0350 c RU . .
H54C H Uiso 0.82999 0.32815 0.08268 1.000 0.0350 c RU . .
H55A H Uiso 0.61256 0.12789 0.16741 1.000 0.0380 c RU . .
H55B H Uiso 0.62401 0.14994 0.25994 1.000 0.0380 c RU . .
H55C H Uiso 0.73189 0.15344 0.23282 1.000 0.0380 c RU . .
H56A H Uiso -0.11811 0.09831 0.35571 0.500 0.0570 c RUP A -1
H56B H Uiso -0.13485 0.09044 0.44253 0.500 0.0570 c RUP A -1
H56C H Uiso -0.16833 -0.01394 0.38277 0.500 0.0570 c RUP A -1
H57A H Uiso 0.01795 0.01291 0.39325 0.500 0.0390 c RUP A -1
H57B H Uiso 0.05480 0.12347 0.44765 0.500 0.0390 c RUP A -1
H58A H Uiso 0.16299 0.06682 0.56094 0.500 0.0360 c RUP A -1
H58B H Uiso 0.13599 -0.03957 0.50389 0.500 0.0360 c RUP A -1
H59A H Uiso 0.04896 -0.14335 0.59177 0.500 0.0550 c RUP A -1
H59B H Uiso 0.05727 -0.04061 0.64424 0.500 0.0550 c RUP A -1
H59C H Uiso 0.16822 -0.06817 0.64684 0.500 0.0550 c RUP A -1
H60A H Uiso 0.31498 -0.03256 0.00781 0.500 0.1020 c RUP B -1
H60B H Uiso 0.37587 0.02118 0.09801 0.500 0.1020 c RUP B -1
H60C H Uiso 0.30509 -0.10115 0.07980 0.500 0.1020 c RUP B -1
H61A H Uiso 0.51669 -0.03761 0.10933 0.500 0.0870 c RUP B -1
H61B H Uiso 0.43972 -0.14382 0.05072 0.500 0.0870 c RUP B -1
H62A H Uiso 0.62754 -0.05953 0.00992 0.500 0.0860 c RUP B -1
H62B H Uiso 0.64946 0.05166 0.05896 0.500 0.0860 c RUP B -1
H63A H Uiso 0.70684 0.06569 -0.06788 0.500 0.1000 c RUP B -1
H63B H Uiso 0.63025 0.13463 -0.05850 0.500 0.1000 c RUP B -1
H63C H Uiso 0.57583 0.02476 -0.11460 0.500 0.1000 c RUP B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ge1 P2 118.07(3) . . . yes
P1 Ge1 P3 124.27(3) . . . yes
P1 Ge1 C25 103.32(6) . . . yes
P2 Ge1 P3 80.98(3) . . . yes
P2 Ge1 C25 116.65(7) . . . yes
P3 Ge1 C25 113.47(6) . . . yes
Ge1 P1 Si1 97.40(3) . . . yes
Ge1 P2 P4 88.35(3) . . . yes
Ge1 P2 P5 86.79(3) . . . yes
P4 P2 P5 58.00(3) . . . yes
Ge1 P3 P4 87.77(3) . . . yes
Ge1 P3 P5 86.30(3) . . . yes
P4 P3 P5 58.08(3) . . . yes
P2 P4 P3 88.02(3) . . . yes
P2 P4 P5 61.08(3) . . . yes
P3 P4 P5 60.97(4) . . . yes
P2 P5 P3 87.92(3) . . . yes
P2 P5 P4 60.91(3) . . . yes
P3 P5 P4 60.95(3) . . . yes
P1 Si1 C1 112.22(7) . . . yes
P1 Si1 C49 115.86(7) . . . yes
C1 Si1 C49 108.33(10) . . . yes
C49 Si1 H1 96.4(11) . . . no
P1 Si1 H1 116.0(12) . . . no
C1 Si1 H1 106.6(10) . . . no
C49 N1 C50 110.89(17) . . . yes
C50 N1 C52 122.45(17) . . . yes
C49 N1 C52 126.65(18) . . . yes
C51 N2 C55 123.25(19) . . . yes
C49 N2 C51 111.17(17) . . . yes
C49 N2 C55 125.58(19) . . . yes
Si1 C1 C2 123.15(15) . . . yes
Si1 C1 C6 119.07(16) . . . yes
C2 C1 C6 117.71(19) . . . no
C57 O1 C58 107.6(6) . . . yes
C1 C2 C3 120.35(19) . . . no
C1 C2 C7 123.35(18) . . . no
C3 C2 C7 116.30(19) . . . no
C2 C3 C4 121.1(2) . . . no
C3 C4 C5 119.4(2) . . . no
C4 C5 C6 120.9(2) . . . no
C1 C6 C5 120.6(2) . . . no
C1 C6 C16 120.48(18) . . . no
C5 C6 C16 118.97(19) . . . no
C8 C7 C12 119.67(19) . . . no
C2 C7 C8 120.22(19) . . . no
C2 C7 C12 119.9(2) . . . no
C7 C8 C13 121.88(19) . . . no
C9 C8 C13 118.9(2) . . . no
C7 C8 C9 119.2(2) . . . no
C8 C9 C10 122.1(2) . . . no
C9 C10 C11 117.9(2) . . . no
C9 C10 C14 120.8(2) . . . no
C11 C10 C14 121.4(2) . . . no
C10 C11 C12 122.0(2) . . . no
C7 C12 C15 121.09(19) . . . no
C11 C12 C15 119.8(2) . . . no
C7 C12 C11 119.1(2) . . . no
C6 C16 C21 120.23(19) . . . no
C17 C16 C21 119.6(2) . . . no
C6 C16 C17 120.2(2) . . . no
C16 C17 C18 119.1(2) . . . no
C18 C17 C22 119.2(2) . . . no
C16 C17 C22 121.6(2) . . . no
C17 C18 C19 121.8(2) . . . no
C18 C19 C23 121.9(2) . . . no
C20 C19 C23 120.2(2) . . . no
C18 C19 C20 118.0(2) . . . no
C19 C20 C21 122.1(2) . . . no
C16 C21 C20 118.9(2) . . . no
C16 C21 C24 120.90(19) . . . no
C20 C21 C24 120.2(2) . . . no
Ge1 C25 C30 119.28(17) . . . yes
C26 C25 C30 118.4(2) . . . no
Ge1 C25 C26 121.59(15) . . . yes
C27 C26 C31 117.4(2) . . . no
C25 C26 C27 120.2(2) . . . no
C25 C26 C31 122.4(2) . . . no
C26 C27 C28 120.9(2) . . . no
C27 C28 C29 119.2(2) . . . no
C28 C29 C30 121.1(2) . . . no
C25 C30 C29 120.0(2) . . . no
C25 C30 C40 122.5(2) . . . no
C29 C30 C40 117.41(19) . . . no
C26 C31 C32 121.07(18) . . . no
C26 C31 C36 118.98(18) . . . no
C32 C31 C36 119.89(19) . . . no
C31 C32 C37 120.61(19) . . . no
C33 C32 C37 120.48(19) . . . no
C31 C32 C33 118.91(19) . . . no
C32 C33 C34 121.9(2) . . . no
C33 C34 C38 120.9(2) . . . no
C35 C34 C38 120.7(2) . . . no
C33 C34 C35 118.4(2) . . . no
C34 C35 C36 121.7(2) . . . no
C31 C36 C39 120.94(19) . . . no
C35 C36 C39 119.84(19) . . . no
C31 C36 C35 119.21(19) . . . no
C30 C40 C41 120.89(19) . . . no
C30 C40 C45 119.21(19) . . . no
C41 C40 C45 119.7(2) . . . no
C40 C41 C42 118.80(19) . . . no
C42 C41 C46 119.63(19) . . . no
C40 C41 C46 121.5(2) . . . no
C41 C42 C43 122.4(2) . . . no
C42 C43 C44 118.1(2) . . . no
C42 C43 C47 121.6(2) . . . no
C44 C43 C47 120.3(2) . . . no
C43 C44 C45 121.8(2) . . . no
C40 C45 C48 120.8(2) . . . no
C44 C45 C48 119.9(2) . . . no
C40 C45 C44 119.2(2) . . . no
Si1 C49 N1 130.47(16) . . . yes
Si1 C49 N2 123.63(15) . . . yes
N1 C49 N2 104.87(18) . . . yes
N1 C50 C51 106.82(18) . . . yes
N1 C50 C53 122.00(19) . . . yes
C51 C50 C53 131.2(2) . . . no
N2 C51 C54 122.05(19) . . . yes
C50 C51 C54 131.7(2) . . . no
N2 C51 C50 106.25(19) . . . yes
C4 C3 H3 119.00 . . . no
C2 C3 H3 119.00 . . . no
C5 C4 H4 120.00 . . . no
C3 C4 H4 120.00 . . . no
C4 C5 H5 120.00 . . . no
C6 C5 H5 120.00 . . . no
C8 C9 H9 119.00 . . . no
C10 C9 H9 119.00 . . . no
C12 C11 H11 119.00 . . . no
C10 C11 H11 119.00 . . . no
C8 C13 H13A 109.00 . . . no
C8 C13 H13B 109.00 . . . no
H13A C13 H13B 109.00 . . . no
H13A C13 H13C 109.00 . . . no
C8 C13 H13C 109.00 . . . no
H13B C13 H13C 109.00 . . . no
C10 C14 H14B 109.00 . . . no
C10 C14 H14C 109.00 . . . no
H14A C14 H14B 110.00 . . . no
H14A C14 H14C 109.00 . . . no
H14B C14 H14C 109.00 . . . no
C10 C14 H14A 109.00 . . . no
C12 C15 H15A 109.00 . . . no
C12 C15 H15C 109.00 . . . no
H15A C15 H15B 109.00 . . . no
H15A C15 H15C 109.00 . . . no
H15B C15 H15C 109.00 . . . no
C12 C15 H15B 109.00 . . . no
C17 C18 H18 119.00 . . . no
C19 C18 H18 119.00 . . . no
C21 C20 H20 119.00 . . . no
C19 C20 H20 119.00 . . . no
C17 C22 H22B 109.00 . . . no
C17 C22 H22C 109.00 . . . no
H22A C22 H22B 109.00 . . . no
H22A C22 H22C 109.00 . . . no
H22B C22 H22C 109.00 . . . no
C17 C22 H22A 109.00 . . . no
C19 C23 H23A 109.00 . . . no
C19 C23 H23C 109.00 . . . no
H23A C23 H23B 109.00 . . . no
H23A C23 H23C 109.00 . . . no
H23B C23 H23C 109.00 . . . no
C19 C23 H23B 109.00 . . . no
C21 C24 H24A 109.00 . . . no
C21 C24 H24B 109.00 . . . no
H24A C24 H24B 109.00 . . . no
H24A C24 H24C 109.00 . . . no
H24B C24 H24C 109.00 . . . no
C21 C24 H24C 109.00 . . . no
C26 C27 H27 120.00 . . . no
C28 C27 H27 120.00 . . . no
C27 C28 H28 120.00 . . . no
C29 C28 H28 120.00 . . . no
C30 C29 H29 119.00 . . . no
C28 C29 H29 119.00 . . . no
C32 C33 H33 119.00 . . . no
C34 C33 H33 119.00 . . . no
C36 C35 H35 119.00 . . . no
C34 C35 H35 119.00 . . . no
C32 C37 H37A 109.00 . . . no
C32 C37 H37C 109.00 . . . no
H37A C37 H37B 109.00 . . . no
H37A C37 H37C 109.00 . . . no
H37B C37 H37C 109.00 . . . no
C32 C37 H37B 109.00 . . . no
C34 C38 H38A 109.00 . . . no
C34 C38 H38B 109.00 . . . no
H38A C38 H38B 109.00 . . . no
H38A C38 H38C 109.00 . . . no
C34 C38 H38C 109.00 . . . no
H38B C38 H38C 109.00 . . . no
C36 C39 H39B 109.00 . . . no
C36 C39 H39C 109.00 . . . no
C36 C39 H39A 109.00 . . . no
H39A C39 H39C 109.00 . . . no
H39B C39 H39C 109.00 . . . no
H39A C39 H39B 109.00 . . . no
C43 C42 H42 119.00 . . . no
C41 C42 H42 119.00 . . . no
C45 C44 H44 119.00 . . . no
C43 C44 H44 119.00 . . . no
C41 C46 H46A 109.00 . . . no
C41 C46 H46C 109.00 . . . no
H46A C46 H46B 109.00 . . . no
C41 C46 H46B 109.00 . . . no
H46B C46 H46C 109.00 . . . no
H46A C46 H46C 109.00 . . . no
C43 C47 H47A 109.00 . . . no
C43 C47 H47B 109.00 . . . no
H47A C47 H47B 109.00 . . . no
H47A C47 H47C 109.00 . . . no
C43 C47 H47C 110.00 . . . no
H47B C47 H47C 109.00 . . . no
C45 C48 H48B 109.00 . . . no
C45 C48 H48C 109.00 . . . no
H48A C48 H48B 109.00 . . . no
H48A C48 H48C 109.00 . . . no
H48B C48 H48C 110.00 . . . no
C45 C48 H48A 109.00 . . . no
N1 C52 H52A 109.00 . . . no
N1 C52 H52B 109.00 . . . no
H52A C52 H52B 109.00 . . . no
H52A C52 H52C 109.00 . . . no
H52B C52 H52C 109.00 . . . no
N1 C52 H52C 109.00 . . . no
C50 C53 H53B 109.00 . . . no
C50 C53 H53C 109.00 . . . no
C50 C53 H53A 109.00 . . . no
H53A C53 H53C 109.00 . . . no
H53B C53 H53C 109.00 . . . no
H53A C53 H53B 109.00 . . . no
C51 C54 H54A 109.00 . . . no
C51 C54 H54B 109.00 . . . no
H54A C54 H54B 109.00 . . . no
H54A C54 H54C 109.00 . . . no
C51 C54 H54C 109.00 . . . no
H54B C54 H54C 109.00 . . . no
N2 C55 H55B 109.00 . . . no
N2 C55 H55C 110.00 . . . no
N2 C55 H55A 109.00 . . . no
H55A C55 H55C 110.00 . . . no
H55B C55 H55C 109.00 . . . no
H55A C55 H55B 109.00 . . . no
C61 O2 C62 107.0(6) . . . yes
O1 C57 C56 104.5(6) . . . yes
O1 C58 C59 103.3(6) . . . yes
C57 C56 H56B 110.00 . . . no
C57 C56 H56C 109.00 . . . no
H56A C56 H56B 109.00 . . . no
H56A C56 H56C 109.00 . . . no
H56B C56 H56C 109.00 . . . no
C57 C56 H56A 109.00 . . . no
O1 C57 H57A 111.00 . . . no
C56 C57 H57A 111.00 . . . no
C56 C57 H57B 111.00 . . . no
H57A C57 H57B 109.00 . . . no
O1 C57 H57B 111.00 . . . no
O1 C58 H58A 111.00 . . . no
C59 C58 H58A 111.00 . . . no
C59 C58 H58B 111.00 . . . no
O1 C58 H58B 111.00 . . . no
H58A C58 H58B 109.00 . . . no
C58 C59 H59B 109.00 . . . no
C58 C59 H59C 110.00 . . . no
C58 C59 H59A 110.00 . . . no
H59A C59 H59C 110.00 . . . no
H59B C59 H59C 109.00 . . . no
H59A C59 H59B 109.00 . . . no
O2 C61 C60 104.7(7) . . . yes
O2 C62 C63 103.1(6) . . . yes
C61 C60 H60A 109.00 . . . no
C61 C60 H60B 109.00 . . . no
C61 C60 H60C 109.00 . . . no
H60A C60 H60B 109.00 . . . no
H60A C60 H60C 109.00 . . . no
H60B C60 H60C 110.00 . . . no
O2 C61 H61A 111.00 . . . no
O2 C61 H61B 111.00 . . . no
C60 C61 H61A 111.00 . . . no
C60 C61 H61B 111.00 . . . no
H61A C61 H61B 109.00 . . . no
O2 C62 H62A 111.00 . . . no
O2 C62 H62B 111.00 . . . no
C63 C62 H62A 111.00 . . . no
C63 C62 H62B 111.00 . . . no
H62A C62 H62B 109.00 . . . no
C62 C63 H63A 109.00 . . . no
C62 C63 H63B 109.00 . . . no
C62 C63 H63C 109.00 . . . no
H63A C63 H63B 109.00 . . . no
H63A C63 H63C 109.00 . . . no
H63B C63 H63C 109.00 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 P1 2.2450(9) . . yes
Ge1 P2 2.3723(9) . . yes
Ge1 P3 2.3964(10) . . yes
Ge1 C25 1.995(2) . . yes
P1 Si1 2.1650(10) . . yes
P2 P4 2.2288(10) . . yes
P2 P5 2.2324(12) . . yes
P3 P4 2.2276(11) . . yes
P3 P5 2.2282(11) . . yes
P4 P5 2.1629(11) . . yes
Si1 C1 1.902(2) . . yes
Si1 C49 1.937(2) . . yes
Si1 H1 1.38(2) . . no
N1 C50 1.385(3) . . yes
N1 C52 1.465(3) . . yes
N1 C49 1.350(3) . . yes
N2 C49 1.354(3) . . yes
N2 C51 1.384(3) . . yes
N2 C55 1.461(3) . . yes
C1 C2 1.407(3) . . no
C1 C6 1.426(3) . . no
O1 C58 1.474(10) . . yes
O1 C57 1.459(10) . . yes
C2 C3 1.396(3) . . no
C2 C7 1.505(3) . . no
C3 C4 1.388(3) . . no
C4 C5 1.381(3) . . no
C5 C6 1.391(3) . . no
C6 C16 1.500(3) . . no
C7 C8 1.404(3) . . no
C7 C12 1.406(3) . . no
C8 C13 1.509(3) . . no
C8 C9 1.392(3) . . no
C9 C10 1.392(3) . . no
C10 C11 1.390(3) . . no
C10 C14 1.513(3) . . no
C11 C12 1.396(3) . . no
C12 C15 1.508(3) . . no
C16 C17 1.403(3) . . no
C16 C21 1.406(3) . . no
C17 C22 1.507(4) . . no
C17 C18 1.394(3) . . no
C18 C19 1.384(4) . . no
C19 C20 1.392(3) . . no
C19 C23 1.506(4) . . no
C20 C21 1.387(3) . . no
C21 C24 1.505(3) . . no
C25 C30 1.409(3) . . no
C25 C26 1.406(3) . . no
C26 C31 1.501(3) . . no
C26 C27 1.398(3) . . no
C27 C28 1.384(3) . . no
C28 C29 1.384(4) . . no
C29 C30 1.396(3) . . no
C30 C40 1.501(3) . . no
C31 C36 1.405(3) . . no
C31 C32 1.403(3) . . no
C32 C33 1.397(3) . . no
C32 C37 1.505(3) . . no
C33 C34 1.386(3) . . no
C34 C35 1.387(3) . . no
C34 C38 1.513(3) . . no
C35 C36 1.394(3) . . no
C36 C39 1.512(3) . . no
C40 C45 1.411(3) . . no
C40 C41 1.401(3) . . no
C41 C42 1.396(3) . . no
C41 C46 1.506(3) . . no
C42 C43 1.384(3) . . no
C43 C44 1.389(3) . . no
C43 C47 1.507(4) . . no
C44 C45 1.391(3) . . no
C45 C48 1.503(3) . . no
C50 C51 1.356(3) . . no
C50 C53 1.490(3) . . no
C51 C54 1.489(3) . . no
C3 H3 0.9500 . . no
C4 H4 0.9500 . . no
C5 H5 0.9500 . . no
C9 H9 0.9500 . . no
C11 H11 0.9500 . . no
C13 H13A 0.9800 . . no
C13 H13B 0.9800 . . no
C13 H13C 0.9800 . . no
C14 H14A 0.9800 . . no
C14 H14C 0.9800 . . no
C14 H14B 0.9800 . . no
C15 H15B 0.9800 . . no
C15 H15A 0.9800 . . no
C15 H15C 0.9800 . . no
C18 H18 0.9500 . . no
C20 H20 0.9500 . . no
C22 H22C 0.9800 . . no
C22 H22B 0.9800 . . no
C22 H22A 0.9800 . . no
C23 H23B 0.9800 . . no
C23 H23A 0.9800 . . no
C23 H23C 0.9800 . . no
C24 H24B 0.9800 . . no
C24 H24A 0.9800 . . no
C24 H24C 0.9800 . . no
C27 H27 0.9500 . . no
C28 H28 0.9500 . . no
C29 H29 0.9500 . . no
C33 H33 0.9500 . . no
C35 H35 0.9500 . . no
C37 H37A 0.9800 . . no
C37 H37C 0.9800 . . no
C37 H37B 0.9800 . . no
C38 H38C 0.9800 . . no
C38 H38B 0.9800 . . no
C38 H38A 0.9800 . . no
C39 H39A 0.9800 . . no
C39 H39B 0.9800 . . no
C39 H39C 0.9800 . . no
C42 H42 0.9500 . . no
C44 H44 0.9500 . . no
C46 H46B 0.9800 . . no
C46 H46C 0.9800 . . no
C46 H46A 0.9800 . . no
C47 H47C 0.9800 . . no
C47 H47A 0.9800 . . no
C47 H47B 0.9800 . . no
C48 H48C 0.9800 . . no
C48 H48B 0.9800 . . no
C48 H48A 0.9800 . . no
C52 H52B 0.9800 . . no
C52 H52A 0.9800 . . no
C52 H52C 0.9800 . . no
C53 H53B 0.9800 . . no
C53 H53A 0.9800 . . no
C53 H53C 0.9800 . . no
C54 H54B 0.9800 . . no
C54 H54C 0.9800 . . no
C54 H54A 0.9800 . . no
C55 H55C 0.9800 . . no
C55 H55A 0.9800 . . no
C55 H55B 0.9800 . . no
O2 C62 1.476(11) . . yes
O2 C61 1.461(9) . . yes
C56 C57 1.473(9) . . no
C58 C59 1.580(9) . . no
C56 H56C 0.9800 . . no
C56 H56A 0.9800 . . no
C56 H56B 0.9800 . . no
C57 H57B 0.9900 . . no
C57 H57A 0.9900 . . no
C58 H58B 0.9900 . . no
C58 H58A 0.9900 . . no
C59 H59C 0.9800 . . no
C59 H59A 0.9800 . . no
C59 H59B 0.9800 . . no
C60 C61 1.473(14) . . no
C62 C63 1.581(11) . . no
C60 H60A 0.9800 . . no
C60 H60B 0.9800 . . no
C60 H60C 0.9800 . . no
C61 H61A 0.9900 . . no
C61 H61B 0.9900 . . no
C62 H62A 0.9900 . . no
C62 H62B 0.9900 . . no
C63 H63A 0.9800 . . no
C63 H63B 0.9800 . . no
C63 H63C 0.9800 . . no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C48 H48C P3 0.9800 2.8500 3.439(3) 119.00 . yes
C52 H52A P3 0.9800 2.8300 3.474(2) 124.00 . yes
C52 H52C P1 0.9800 2.7100 3.541(3) 142.00 . yes
C62 H62A P5 0.9900 2.8300 3.646(7) 140.00 2_655 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Ge1 P1 Si1 44.49(4) . . . . no
P3 Ge1 P1 Si1 -54.04(4) . . . . no
C25 Ge1 P1 Si1 174.92(7) . . . . no
P1 Ge1 P2 P4 -151.87(3) . . . . no
P1 Ge1 P2 P5 -93.83(3) . . . . no
P3 Ge1 P2 P4 -27.72(3) . . . . no
P3 Ge1 P2 P5 30.33(3) . . . . no
C25 Ge1 P2 P4 84.09(7) . . . . no
C25 Ge1 P2 P5 142.13(7) . . . . no
P1 Ge1 P3 P4 145.66(3) . . . . no
P1 Ge1 P3 P5 87.51(3) . . . . no
P2 Ge1 P3 P4 27.74(3) . . . . no
P2 Ge1 P3 P5 -30.41(3) . . . . no
C25 Ge1 P3 P4 -87.48(7) . . . . no
C25 Ge1 P3 P5 -145.63(7) . . . . no
P1 Ge1 C25 C26 -101.97(15) . . . . no
P1 Ge1 C25 C30 68.22(16) . . . . no
P2 Ge1 C25 C26 29.31(18) . . . . no
P2 Ge1 C25 C30 -160.49(13) . . . . no
P3 Ge1 C25 C26 120.83(15) . . . . no
P3 Ge1 C25 C30 -68.97(16) . . . . no
Ge1 P1 Si1 C1 -168.98(8) . . . . no
Ge1 P1 Si1 C49 65.89(7) . . . . no
Ge1 P2 P4 P3 29.63(3) . . . . no
Ge1 P2 P4 P5 87.25(3) . . . . no
P5 P2 P4 P3 -57.62(3) . . . . no
Ge1 P2 P5 P3 -32.46(3) . . . . no
Ge1 P2 P5 P4 -90.06(3) . . . . no
P4 P2 P5 P3 57.60(3) . . . . no
Ge1 P3 P4 P2 -29.31(3) . . . . no
Ge1 P3 P4 P5 -87.03(3) . . . . no
P5 P3 P4 P2 57.71(3) . . . . no
Ge1 P3 P5 P2 32.11(3) . . . . no
Ge1 P3 P5 P4 89.68(3) . . . . no
P4 P3 P5 P2 -57.57(3) . . . . no
P2 P4 P5 P3 -105.16(3) . . . . no
P3 P4 P5 P2 105.16(3) . . . . no
P1 Si1 C1 C2 -75.8(2) . . . . no
P1 Si1 C1 C6 100.93(17) . . . . no
C49 Si1 C1 C2 53.3(2) . . . . no
C49 Si1 C1 C6 -129.89(18) . . . . no
P1 Si1 C49 N1 11.2(2) . . . . no
P1 Si1 C49 N2 -155.36(15) . . . . no
C1 Si1 C49 N1 -115.86(19) . . . . no
C1 Si1 C49 N2 77.54(18) . . . . no
C50 N1 C49 Si1 -168.10(16) . . . . no
C50 N1 C49 N2 0.4(2) . . . . no
C52 N1 C49 Si1 11.0(3) . . . . no
C52 N1 C49 N2 179.46(19) . . . . no
C49 N1 C50 C51 -0.3(2) . . . . no
C49 N1 C50 C53 178.7(2) . . . . no
C52 N1 C50 C51 -179.40(19) . . . . no
C52 N1 C50 C53 -0.4(3) . . . . no
C51 N2 C49 Si1 169.14(15) . . . . no
C51 N2 C49 N1 -0.4(2) . . . . no
C55 N2 C49 Si1 -10.5(3) . . . . no
C55 N2 C49 N1 -180.0(2) . . . . no
C49 N2 C51 C50 0.2(2) . . . . no
C49 N2 C51 C54 -179.0(2) . . . . no
C55 N2 C51 C50 179.8(2) . . . . no
C55 N2 C51 C54 0.6(3) . . . . no
Si1 C1 C2 C3 176.79(18) . . . . no
Si1 C1 C2 C7 -4.1(3) . . . . no
C6 C1 C2 C3 0.0(3) . . . . no
C6 C1 C2 C7 179.0(2) . . . . no
Si1 C1 C6 C5 -177.96(18) . . . . no
Si1 C1 C6 C16 2.6(3) . . . . no
C2 C1 C6 C5 -1.0(3) . . . . no
C2 C1 C6 C16 179.5(2) . . . . no
C58 O1 C57 C56 -176.7(6) . . . . no
C57 O1 C58 C59 -176.9(6) . . . . no
C1 C2 C7 C8 -89.9(3) . . . . no
C1 C2 C3 C4 0.7(4) . . . . no
C7 C2 C3 C4 -178.5(2) . . . . no
C3 C2 C7 C12 -85.2(3) . . . . no
C1 C2 C7 C12 95.7(3) . . . . no
C3 C2 C7 C8 89.2(3) . . . . no
C2 C3 C4 C5 -0.2(4) . . . . no
C3 C4 C5 C6 -0.8(4) . . . . no
C4 C5 C6 C16 -179.1(2) . . . . no
C4 C5 C6 C1 1.4(4) . . . . no
C5 C6 C16 C17 -82.8(3) . . . . no
C5 C6 C16 C21 98.6(3) . . . . no
C1 C6 C16 C21 -82.0(3) . . . . no
C1 C6 C16 C17 96.7(3) . . . . no
C2 C7 C8 C13 -0.6(3) . . . . no
C2 C7 C8 C9 -177.94(19) . . . . no
C2 C7 C12 C11 177.0(2) . . . . no
C12 C7 C8 C9 -3.6(3) . . . . no
C12 C7 C8 C13 173.8(2) . . . . no
C8 C7 C12 C15 -174.8(2) . . . . no
C2 C7 C12 C15 -0.5(3) . . . . no
C8 C7 C12 C11 2.7(3) . . . . no
C7 C8 C9 C10 2.2(3) . . . . no
C13 C8 C9 C10 -175.3(2) . . . . no
C8 C9 C10 C14 -179.4(2) . . . . no
C8 C9 C10 C11 0.2(3) . . . . no
C14 C10 C11 C12 178.5(2) . . . . no
C9 C10 C11 C12 -1.2(3) . . . . no
C10 C11 C12 C15 177.3(2) . . . . no
C10 C11 C12 C7 -0.3(3) . . . . no
C6 C16 C17 C18 -171.5(2) . . . . no
C21 C16 C17 C22 -170.9(2) . . . . no
C6 C16 C17 C22 10.5(3) . . . . no
C21 C16 C17 C18 7.1(3) . . . . no
C17 C16 C21 C20 -6.6(3) . . . . no
C17 C16 C21 C24 171.21(19) . . . . no
C6 C16 C21 C20 172.10(19) . . . . no
C6 C16 C21 C24 -10.2(3) . . . . no
C16 C17 C18 C19 -1.8(3) . . . . no
C22 C17 C18 C19 176.3(2) . . . . no
C17 C18 C19 C20 -4.0(3) . . . . no
C17 C18 C19 C23 176.0(2) . . . . no
C18 C19 C20 C21 4.6(3) . . . . no
C23 C19 C20 C21 -175.4(2) . . . . no
C19 C20 C21 C16 0.6(3) . . . . no
C19 C20 C21 C24 -177.2(2) . . . . no
Ge1 C25 C26 C31 -15.9(3) . . . . no
Ge1 C25 C26 C27 166.45(16) . . . . no
Ge1 C25 C30 C29 -166.76(16) . . . . no
C30 C25 C26 C27 -3.8(3) . . . . no
C30 C25 C26 C31 173.79(18) . . . . no
C26 C25 C30 C40 -173.34(18) . . . . no
Ge1 C25 C30 C40 16.2(3) . . . . no
C26 C25 C30 C29 3.8(3) . . . . no
C25 C26 C27 C28 1.0(3) . . . . no
C25 C26 C31 C36 -87.5(3) . . . . no
C31 C26 C27 C28 -176.7(2) . . . . no
C25 C26 C31 C32 95.4(3) . . . . no
C27 C26 C31 C36 90.1(3) . . . . no
C27 C26 C31 C32 -86.9(3) . . . . no
C26 C27 C28 C29 2.0(3) . . . . no
C27 C28 C29 C30 -2.0(3) . . . . no
C28 C29 C30 C25 -0.9(3) . . . . no
C28 C29 C30 C40 176.4(2) . . . . no
C25 C30 C40 C45 78.5(3) . . . . no
C25 C30 C40 C41 -106.9(2) . . . . no
C29 C30 C40 C45 -98.7(2) . . . . no
C29 C30 C40 C41 76.0(3) . . . . no
C26 C31 C32 C37 -2.9(3) . . . . no
C26 C31 C32 C33 177.6(2) . . . . no
C26 C31 C36 C35 -178.1(2) . . . . no
C36 C31 C32 C33 0.6(3) . . . . no
C36 C31 C32 C37 -179.9(2) . . . . no
C32 C31 C36 C39 177.8(2) . . . . no
C32 C31 C36 C35 -1.0(3) . . . . no
C26 C31 C36 C39 0.7(3) . . . . no
C37 C32 C33 C34 -179.0(2) . . . . no
C31 C32 C33 C34 0.4(4) . . . . no
C32 C33 C34 C35 -1.1(4) . . . . no
C32 C33 C34 C38 178.8(2) . . . . no
C38 C34 C35 C36 -179.1(2) . . . . no
C33 C34 C35 C36 0.7(4) . . . . no
C34 C35 C36 C39 -178.4(2) . . . . no
C34 C35 C36 C31 0.3(4) . . . . no
C30 C40 C41 C46 0.6(3) . . . . no
C30 C40 C41 C42 -177.6(2) . . . . no
C30 C40 C45 C44 177.1(2) . . . . no
C45 C40 C41 C42 -2.9(3) . . . . no
C45 C40 C41 C46 175.2(2) . . . . no
C41 C40 C45 C48 -174.5(2) . . . . no
C41 C40 C45 C44 2.4(3) . . . . no
C30 C40 C45 C48 0.2(3) . . . . no
C46 C41 C42 C43 -176.4(2) . . . . no
C40 C41 C42 C43 1.7(3) . . . . no
C41 C42 C43 C44 0.0(3) . . . . no
C41 C42 C43 C47 179.3(2) . . . . no
C42 C43 C44 C45 -0.6(3) . . . . no
C47 C43 C44 C45 -179.9(2) . . . . no
C43 C44 C45 C48 176.3(2) . . . . no
C43 C44 C45 C40 -0.6(3) . . . . no
N1 C50 C51 N2 0.1(2) . . . . no
C53 C50 C51 C54 0.3(4) . . . . no
N1 C50 C51 C54 179.1(2) . . . . no
C53 C50 C51 N2 -178.8(2) . . . . no
C62 O2 C61 C60 153.5(6) . . . . no
C61 O2 C62 C63 -177.2(5) . . . . no
