#------------------------------------------------------------------------------
#$Date: 2024-07-05 18:52:44 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292997 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/63/7716301.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_7716301
loop_
_publ_author_name
'Sun, Xiaofei'
'Jin, Da'
'Maier, Stefanie'
'Hinz, Alexander'
'Roesky, Peter W.'
_publ_section_title
;
 Reactivities of phosphaalkynes towards diverse bis-silylenes.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10220
_journal_page_last               10225
_journal_paper_doi               10.1039/d4dt01367k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C49 H73 Cl Ga Ge N4 P, 1.5(C6 D6)'
_chemical_formula_sum            'C58 H73 Cl D9 Ga Ge N4 P'
_chemical_formula_weight         1053.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-02-07
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-04-04 deposited with the CCDC.	2024-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.909(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   45.9880(12)
_cell_length_b                   12.9413(2)
_cell_length_c                   20.6901(5)
_cell_measurement_reflns_used    67320
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.14
_cell_measurement_theta_min      2.96
_cell_volume                     11342.4(5)
_computing_cell_refinement
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection
;
X-Area Pilatus3_SV 1.31.150.0 (STOE, 2018)
;
_computing_data_reduction
;
X-Area Integrate 1.73.1.0 (STOE, 2018)
X-Area LANA 1.73.2.0 (STOE, 2018)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.84, Darmstadt 2018
;
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'EIGER2 1M CDTE'
_diffrn_detector_area_resol_mean 13.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
 703 frames, detector distance = 40 mm
;
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            84476
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.971
_diffrn_source                   Axo_Mo
_diffrn_source_current           0.830
_diffrn_source_power             0.050
_diffrn_source_voltage           60
_exptl_absorpt_coefficient_mu    1.119
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4424
_exptl_crystal_size_max          0.146
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.068
_refine_diff_density_max         1.760
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     654
_refine_ls_number_reflns         11118
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0710P)²+37.2963P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1389
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8170
_reflns_number_total             11118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01367k2.cif
_cod_data_source_block           xf487a
_cod_depositor_comments
'Adding full bibliography for 7716299--7716302.cif.'
_cod_database_code               7716301
_shelx_shelxl_version_number     2019/2
_audit_contact_author
;
      Prof. Dr. Peter W. Roesky
      Karlsruher Institut fuer Technologie (KIT), CS
      Institut fuer Anorganische Chemie (AOC)
      Lehrstuhl fuer Anorganische Funktionsmaterialien
      Engesserstr. 15, Geb. 30.45
      76131 Karlsruhe 
      Bundesrepublik Deutschland
;
_audit_contact_letter
;
;
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-C2 \\sim C1-C2A
 with sigma of 0.02
 C2-C4 \\sim C2A-C3A
 with sigma of 0.02
 C2-C5 \\sim C2A-C4A
 with sigma of 0.02
 C2-C3 \\sim C2A-C5A
 with sigma of 0.02
 C1-C4 \\sim C1-C3A
 with sigma of 0.04
 C1-C5 \\sim C1-C4A
 with sigma of 0.04
 C1-C3 \\sim C1-C5A
 with sigma of 0.04
 C4-C5 \\sim C3A-C4A
 with sigma of 0.04
 C4-C3 \\sim C3A-C5A
 with sigma of 0.04
 C5-C3 \\sim C4A-C5A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C2 \\sim C2A \\sim C3 \\sim C3A \\sim C4 \\sim C4A \\sim C5 \\sim C5A: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Others
 Sof(C2A)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=Sof(C4A)=Sof(H4AA)=Sof(H4AB)=
 Sof(H4AC)=Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(H5AC)=1-FVAR(1)
 Sof(C2)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=
 Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C27(H27), C30(H30), C44(H44), C47(H47)
5.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C23(H23), C24(H24),
 C25(H25), C34(H34), C40(H40), C41(H41), C42(H42), C50(D50), C51(D51), C52(D52),
  C53(D53), C54(D54), C55(D55), C56(D56), C57(D57), C58(D58)
5.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C3A(H3AA,H3AB,H3AC), C4(H4A,H4B,H4C), C4A(H4AA,H4AB,H4AC),
 C5(H5A,H5B,H5C), C5A(H5AA,H5AB,H5AC), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C),
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C45(H45A,H45B,H45C), C46(H46A,
 H46B,H46C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.58139(9) 0.2971(3) 0.2201(2) 0.0274(8) Uani 1 1 d D . . . .
C2 C 0.54711(17) 0.2702(7) 0.1748(5) 0.0352(18) Uani 0.737(14) 1 d D U P A 1
C2A C 0.5468(4) 0.262(2) 0.1848(11) 0.034(4) Uani 0.263(14) 1 d D U P A 2
C3 C 0.53870(17) 0.1607(6) 0.1877(5) 0.056(2) Uani 0.737(14) 1 d D U P A 1
H3A H 0.551713 0.111530 0.174715 0.083 Uiso 0.737(14) 1 calc R U P A 1
H3B H 0.516352 0.147723 0.159250 0.083 Uiso 0.737(14) 1 calc R U P A 1
H3C H 0.542630 0.152247 0.237485 0.083 Uiso 0.737(14) 1 calc R U P A 1
C3A C 0.5358(4) 0.1821(14) 0.2269(12) 0.041(5) Uani 0.263(14) 1 d D U P A 2
H3AA H 0.547659 0.117730 0.231817 0.062 Uiso 0.263(14) 1 calc R U P A 2
H3AB H 0.513176 0.168243 0.201887 0.062 Uiso 0.263(14) 1 calc R U P A 2
H3AC H 0.539542 0.209962 0.273564 0.062 Uiso 0.263(14) 1 calc R U P A 2
C4 C 0.5242(3) 0.3465(10) 0.1875(8) 0.047(3) Uani 0.737(14) 1 d D U P A 1
H4A H 0.526246 0.341155 0.236306 0.070 Uiso 0.737(14) 1 calc R U P A 1
H4B H 0.502503 0.329797 0.156020 0.070 Uiso 0.737(14) 1 calc R U P A 1
H4C H 0.529271 0.417046 0.178170 0.070 Uiso 0.737(14) 1 calc R U P A 1
C4A C 0.5264(8) 0.359(2) 0.173(2) 0.037(6) Uani 0.263(14) 1 d D U P A 2
H4AA H 0.526039 0.381952 0.217862 0.056 Uiso 0.263(14) 1 calc R U P A 2
H4AB H 0.504817 0.343206 0.140276 0.056 Uiso 0.263(14) 1 calc R U P A 2
H4AC H 0.535160 0.413820 0.153389 0.056 Uiso 0.263(14) 1 calc R U P A 2
C5 C 0.54251(17) 0.2789(8) 0.0975(4) 0.052(2) Uani 0.737(14) 1 d D U P A 1
H5A H 0.546867 0.349894 0.087485 0.078 Uiso 0.737(14) 1 calc R U P A 1
H5B H 0.520702 0.260802 0.067610 0.078 Uiso 0.737(14) 1 calc R U P A 1
H5C H 0.557016 0.231493 0.088122 0.078 Uiso 0.737(14) 1 calc R U P A 1
C5A C 0.5424(5) 0.217(2) 0.1141(11) 0.051(5) Uani 0.263(14) 1 d D U P A 2
H5AA H 0.552583 0.261797 0.090990 0.076 Uiso 0.263(14) 1 calc R U P A 2
H5AB H 0.519774 0.211876 0.084864 0.076 Uiso 0.263(14) 1 calc R U P A 2
H5AC H 0.551893 0.148056 0.120714 0.076 Uiso 0.263(14) 1 calc R U P A 2
C6 C 0.57391(11) 0.5801(4) 0.0949(2) 0.0419(11) Uani 1 1 d . . . . .
C7 C 0.58997(17) 0.4965(6) 0.0681(3) 0.083(2) Uani 1 1 d . . . . .
H7A H 0.610351 0.478598 0.105130 0.125 Uiso 1 1 calc R U . . .
H7B H 0.593318 0.522363 0.027011 0.125 Uiso 1 1 calc R U . . .
H7C H 0.576507 0.434931 0.054979 0.125 Uiso 1 1 calc R U . . .
C8 C 0.54012(12) 0.5945(4) 0.0437(2) 0.0491(12) Uani 1 1 d . . . . .
H8A H 0.528122 0.531244 0.041920 0.074 Uiso 1 1 calc R U . . .
H8B H 0.539754 0.609341 -0.003056 0.074 Uiso 1 1 calc R U . . .
H8C H 0.530610 0.652272 0.059111 0.074 Uiso 1 1 calc R U . . .
C9 C 0.59236(12) 0.6810(5) 0.1036(3) 0.0652(18) Uani 1 1 d . . . . .
H9A H 0.581448 0.736271 0.117578 0.098 Uiso 1 1 calc R U . . .
H9B H 0.593807 0.699286 0.058937 0.098 Uiso 1 1 calc R U . . .
H9C H 0.613637 0.672183 0.139710 0.098 Uiso 1 1 calc R U . . .
C10 C 0.57027(9) 0.5871(3) 0.2141(2) 0.0251(8) Uani 1 1 d . . . . .
C11 C 0.55600(9) 0.6913(3) 0.2092(2) 0.0295(9) Uani 1 1 d . . . . .
C12 C 0.52351(10) 0.7033(3) 0.1761(2) 0.0373(10) Uani 1 1 d . . . . .
H12 H 0.510619 0.644758 0.156386 0.045 Uiso 1 1 calc R U . . .
C13 C 0.50974(12) 0.7992(4) 0.1715(3) 0.0491(12) Uani 1 1 d . . . . .
H13 H 0.487478 0.806492 0.148865 0.059 Uiso 1 1 calc R U . . .
C14 C 0.52849(13) 0.8854(4) 0.1999(3) 0.0565(14) Uani 1 1 d . . . . .
H14 H 0.519121 0.951636 0.196630 0.068 Uiso 1 1 calc R U . . .
C15 C 0.56067(13) 0.8739(4) 0.2328(3) 0.0548(14) Uani 1 1 d . . . . .
H15 H 0.573521 0.932562 0.252167 0.066 Uiso 1 1 calc R U . . .
C16 C 0.57458(11) 0.7773(3) 0.2379(3) 0.0421(11) Uani 1 1 d . . . . .
H16 H 0.596817 0.770046 0.261116 0.051 Uiso 1 1 calc R U . . .
C17 C 0.57877(10) 0.5404(3) 0.3403(2) 0.0296(9) Uani 1 1 d . . . . .
C18 C 0.54625(11) 0.5773(4) 0.3340(2) 0.0404(11) Uani 1 1 d . . . . .
H18A H 0.542711 0.647899 0.315421 0.061 Uiso 1 1 calc R U . . .
H18B H 0.545147 0.576093 0.380303 0.061 Uiso 1 1 calc R U . . .
H18C H 0.530016 0.531491 0.302060 0.061 Uiso 1 1 calc R U . . .
C19 C 0.60426(11) 0.6147(4) 0.3861(2) 0.0416(11) Uani 1 1 d . . . . .
H19A H 0.624966 0.590842 0.388998 0.062 Uiso 1 1 calc R U . . .
H19B H 0.604060 0.616887 0.433240 0.062 Uiso 1 1 calc R U . . .
H19C H 0.600130 0.683962 0.365360 0.062 Uiso 1 1 calc R U . . .
C20 C 0.58485(11) 0.4337(3) 0.3740(2) 0.0346(10) Uani 1 1 d . . . . .
H20A H 0.568359 0.385917 0.345201 0.052 Uiso 1 1 calc R U . . .
H20B H 0.584605 0.437894 0.421059 0.052 Uiso 1 1 calc R U . . .
H20C H 0.605496 0.408606 0.377348 0.052 Uiso 1 1 calc R U . . .
C21 C 0.66929(8) 0.0852(3) 0.38228(19) 0.0207(7) Uani 1 1 d . . . . .
C22 C 0.66295(9) 0.0025(3) 0.33516(19) 0.0244(8) Uani 1 1 d . . . . .
C23 C 0.65029(9) -0.0875(3) 0.3507(2) 0.0292(9) Uani 1 1 d . . . . .
H23 H 0.646607 -0.145414 0.320268 0.035 Uiso 1 1 calc R U . . .
C24 C 0.64303(10) -0.0943(3) 0.4088(2) 0.0310(9) Uani 1 1 d . . . . .
H24 H 0.634192 -0.156023 0.418169 0.037 Uiso 1 1 calc R U . . .
C25 C 0.64861(9) -0.0108(3) 0.4538(2) 0.0276(8) Uani 1 1 d . . . . .
H25 H 0.643206 -0.015596 0.493606 0.033 Uiso 1 1 calc R U . . .
C26 C 0.66200(8) 0.0802(3) 0.44202(19) 0.0237(8) Uani 1 1 d . . . . .
C27 C 0.66948(9) 0.0076(3) 0.2686(2) 0.0295(9) Uani 1 1 d . . . . .
H27 H 0.673167 0.081673 0.260228 0.035 Uiso 1 1 calc R U . . .
C28 C 0.64128(11) -0.0307(4) 0.2047(2) 0.0399(10) Uani 1 1 d . . . . .
H28A H 0.638685 -0.105267 0.208960 0.060 Uiso 1 1 calc R U . . .
H28B H 0.644986 -0.016764 0.161953 0.060 Uiso 1 1 calc R U . . .
H28C H 0.622123 0.005217 0.202193 0.060 Uiso 1 1 calc R U . . .
C29 C 0.69910(11) -0.0531(4) 0.2759(3) 0.0440(11) Uani 1 1 d . . . . .
H29A H 0.717571 -0.021677 0.312505 0.066 Uiso 1 1 calc R U . . .
H29B H 0.701788 -0.051902 0.231165 0.066 Uiso 1 1 calc R U . . .
H29C H 0.696938 -0.124820 0.288645 0.066 Uiso 1 1 calc R U . . .
C30 C 0.66740(9) 0.1698(3) 0.49238(18) 0.0255(8) Uani 1 1 d . . . . .
H30 H 0.680241 0.222952 0.480301 0.031 Uiso 1 1 calc R U . . .
C31 C 0.63595(10) 0.2192(3) 0.4843(2) 0.0328(9) Uani 1 1 d . . . . .
H31A H 0.624292 0.238720 0.435182 0.049 Uiso 1 1 calc R U . . .
H31B H 0.639955 0.280894 0.513991 0.049 Uiso 1 1 calc R U . . .
H31C H 0.623469 0.169644 0.498603 0.049 Uiso 1 1 calc R U . . .
C32 C 0.68561(10) 0.1369(3) 0.5687(2) 0.0331(9) Uani 1 1 d . . . . .
H32A H 0.672703 0.088857 0.582885 0.050 Uiso 1 1 calc R U . . .
H32B H 0.690483 0.197960 0.599044 0.050 Uiso 1 1 calc R U . . .
H32C H 0.705295 0.102723 0.572944 0.050 Uiso 1 1 calc R U . . .
C33 C 0.71461(9) 0.1820(3) 0.39004(19) 0.0227(8) Uani 1 1 d . . . . .
C34 C 0.73020(9) 0.2519(3) 0.36260(19) 0.0241(8) Uani 1 1 d . . . . .
H34 H 0.752419 0.256475 0.387361 0.029 Uiso 1 1 calc R U . . .
C35 C 0.71734(9) 0.3158(3) 0.30355(18) 0.0233(8) Uani 1 1 d . . . . .
C36 C 0.73507(9) 0.1083(3) 0.4452(2) 0.0295(9) Uani 1 1 d . . . . .
H36A H 0.730706 0.115767 0.487756 0.044 Uiso 1 1 calc R U . . .
H36B H 0.757338 0.123924 0.456177 0.044 Uiso 1 1 calc R U . . .
H36C H 0.730489 0.037321 0.427778 0.044 Uiso 1 1 calc R U . . .
C37 C 0.74043(9) 0.3562(3) 0.2741(2) 0.0286(9) Uani 1 1 d . . . . .
H37A H 0.731871 0.345515 0.223244 0.043 Uiso 1 1 calc R U . . .
H37B H 0.760506 0.319183 0.295710 0.043 Uiso 1 1 calc R U . . .
H37C H 0.743908 0.430164 0.284374 0.043 Uiso 1 1 calc R U . . .
C38 C 0.67809(9) 0.4000(3) 0.20870(19) 0.0266(8) Uani 1 1 d . . . . .
C39 C 0.68359(10) 0.5076(3) 0.2133(2) 0.0315(9) Uani 1 1 d . . . . .
C40 C 0.67961(11) 0.5604(4) 0.1516(2) 0.0425(11) Uani 1 1 d . . . . .
H40 H 0.683128 0.632846 0.153330 0.051 Uiso 1 1 calc R U . . .
C41 C 0.67064(12) 0.5094(4) 0.0880(3) 0.0490(13) Uani 1 1 d . . . . .
H41 H 0.669218 0.546113 0.047054 0.059 Uiso 1 1 calc R U . . .
C42 C 0.66381(11) 0.4057(4) 0.0840(2) 0.0410(11) Uani 1 1 d . . . . .
H42 H 0.656931 0.371689 0.039911 0.049 Uiso 1 1 calc R U . . .
C43 C 0.66681(9) 0.3492(3) 0.1440(2) 0.0300(9) Uani 1 1 d . . . . .
C44 C 0.69466(10) 0.5665(3) 0.2824(2) 0.0347(9) Uani 1 1 d . . . . .
H44 H 0.700595 0.515179 0.321512 0.042 Uiso 1 1 calc R U . . .
C45 C 0.72375(12) 0.6342(4) 0.2931(3) 0.0519(13) Uani 1 1 d . . . . .
H45A H 0.717719 0.690437 0.258650 0.078 Uiso 1 1 calc R U . . .
H45B H 0.740134 0.591872 0.286745 0.078 Uiso 1 1 calc R U . . .
H45C H 0.731911 0.663153 0.340551 0.078 Uiso 1 1 calc R U . . .
C46 C 0.66834(11) 0.6353(3) 0.2865(3) 0.0417(11) Uani 1 1 d . . . . .
H46A H 0.662009 0.685705 0.248141 0.063 Uiso 1 1 calc R U . . .
H46B H 0.676012 0.671794 0.331567 0.063 Uiso 1 1 calc R U . . .
H46C H 0.650145 0.592428 0.282471 0.063 Uiso 1 1 calc R U . . .
C47 C 0.65921(10) 0.2345(3) 0.1381(2) 0.0312(9) Uani 1 1 d . . . . .
H47 H 0.656122 0.214342 0.181644 0.037 Uiso 1 1 calc R U . . .
C48 C 0.62853(11) 0.2091(4) 0.0760(2) 0.0478(12) Uani 1 1 d . . . . .
H48A H 0.611028 0.247124 0.080751 0.072 Uiso 1 1 calc R U . . .
H48B H 0.624415 0.134706 0.075385 0.072 Uiso 1 1 calc R U . . .
H48C H 0.630467 0.229098 0.032212 0.072 Uiso 1 1 calc R U . . .
C49 C 0.68663(11) 0.1709(4) 0.1362(3) 0.0440(11) Uani 1 1 d . . . . .
H49A H 0.691433 0.192192 0.095977 0.066 Uiso 1 1 calc R U . . .
H49B H 0.680933 0.097526 0.131773 0.066 Uiso 1 1 calc R U . . .
H49C H 0.705211 0.181982 0.179635 0.066 Uiso 1 1 calc R U . . .
Cl Cl 0.67236(2) 0.41590(6) 0.40975(4) 0.01729(18) Uani 1 1 d . . . . .
Ga Ga 0.65747(2) 0.29798(3) 0.31608(2) 0.01991(11) Uani 1 1 d . . . . .
Ge Ge 0.60374(2) 0.43221(3) 0.23001(2) 0.02368(11) Uani 1 1 d . . . . .
N1 N 0.57505(8) 0.5384(3) 0.16241(16) 0.0293(7) Uani 1 1 d . . . . .
N2 N 0.58063(7) 0.5270(2) 0.27136(16) 0.0249(7) Uani 1 1 d . . . . .
N3 N 0.68346(7) 0.1778(2) 0.36679(15) 0.0205(6) Uani 1 1 d . . . . .
N4 N 0.68670(7) 0.3386(2) 0.27192(15) 0.0212(6) Uani 1 1 d . . . . .
P P 0.60775(2) 0.20988(8) 0.27063(5) 0.0276(2) Uani 1 1 d . . . . .
C50 C 0.56338(13) 0.0599(6) 0.4011(3) 0.0708(19) Uani 1 1 d . . . . .
D50 D 0.570598 0.079191 0.365588 0.085 Uiso 1 1 calc R U . . .
C51 C 0.55187(14) 0.1354(5) 0.4347(4) 0.086(2) Uani 1 1 d . . . . .
D51 D 0.551057 0.206214 0.421917 0.103 Uiso 1 1 calc R U . . .
C52 C 0.54184(15) 0.1039(6) 0.4866(4) 0.081(2) Uani 1 1 d . . . . .
D52 D 0.534473 0.153619 0.510422 0.097 Uiso 1 1 calc R U . . .
C53 C 0.54247(15) 0.0031(6) 0.5034(3) 0.0741(18) Uani 1 1 d . . . . .
D53 D 0.534977 -0.017916 0.538117 0.089 Uiso 1 1 calc R U . . .
C54 C 0.55364(14) -0.0681(5) 0.4714(3) 0.0619(15) Uani 1 1 d . . . . .
D54 D 0.554307 -0.138602 0.484658 0.074 Uiso 1 1 calc R U . . .
C55 C 0.56392(13) -0.0411(5) 0.4206(3) 0.0605(15) Uani 1 1 d . . . . .
D55 D 0.571551 -0.092679 0.398513 0.073 Uiso 1 1 calc R U . . .
C56 C 0.73803(13) 0.6515(4) 0.4895(3) 0.0567(14) Uani 1 1 d . . . . .
D56 D 0.729734 0.583331 0.481739 0.068 Uiso 1 1 calc R U . . .
C57 C 0.71819(11) 0.7346(4) 0.4833(3) 0.0463(12) Uani 1 1 d . . . . .
D57 D 0.696357 0.723533 0.472227 0.056 Uiso 1 1 calc R U . . .
C58 C 0.73009(13) 0.8323(4) 0.4931(3) 0.0537(13) Uani 1 1 d . . . . .
D58 D 0.716442 0.889591 0.487925 0.064 Uiso 1 1 calc R U . . .
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'
D D 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 Ge 129.0(4) . . ?
C2 C1 P 123.2(4) . . ?
C2A C1 Ge 134.5(10) . . ?
C2A C1 P 117.3(10) . . ?
P C1 Ge 107.7(2) . . ?
C1 C2 C4 111.2(8) . . ?
C1 C2 C5 108.3(6) . . ?
C3 C2 C1 112.1(6) . . ?
C3 C2 C4 109.3(9) . . ?
C3 C2 C5 108.1(7) . . ?
C5 C2 C4 107.8(8) . . ?
C1 C2A C3A 115.5(15) . . ?
C4A C2A C1 107(2) . . ?
C4A C2A C3A 108.8(19) . . ?
C5A C2A C1 107.2(14) . . ?
C5A C2A C3A 109.4(17) . . ?
C5A C2A C4A 109(2) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2A C3A H3AA 109.5 . . ?
C2A C3A H3AB 109.5 . . ?
C2A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2A C4A H4AA 109.5 . . ?
C2A C4A H4AB 109.5 . . ?
C2A C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2A C5A H5AA 109.5 . . ?
C2A C5A H5AB 109.5 . . ?
C2A C5A H5AC 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C8 C6 C7 110.0(5) . . ?
C8 C6 C9 110.4(4) . . ?
C9 C6 C7 108.8(5) . . ?
N1 C6 C7 103.8(4) . . ?
N1 C6 C8 110.8(4) . . ?
N1 C6 C9 112.7(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Ge 168.9(3) . . ?
N1 C10 C11 125.6(3) . . ?
N1 C10 Ge 55.51(19) . . ?
N1 C10 N2 108.8(3) . . ?
N2 C10 C11 125.6(3) . . ?
N2 C10 Ge 54.74(18) . . ?
C12 C11 C10 119.8(4) . . ?
C16 C11 C10 121.1(4) . . ?
C16 C11 C12 119.1(4) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.7(4) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.5(4) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.7(5) . . ?
C16 C15 H15 119.7 . . ?
C11 C16 C15 120.0(4) . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C19 110.3(4) . . ?
C20 C17 C18 108.8(3) . . ?
C20 C17 C19 109.1(3) . . ?
N2 C17 C18 112.2(3) . . ?
N2 C17 C19 110.8(3) . . ?
N2 C17 C20 105.5(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 121.5(3) . . ?
C22 C21 N3 117.7(3) . . ?
C26 C21 N3 120.8(3) . . ?
C21 C22 C27 122.4(3) . . ?
C23 C22 C21 118.1(3) . . ?
C23 C22 C27 119.5(3) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.4(4) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.7(4) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.3 . . ?
C24 C25 C26 121.4(3) . . ?
C26 C25 H25 119.3 . . ?
C21 C26 C30 122.7(3) . . ?
C25 C26 C21 117.8(3) . . ?
C25 C26 C30 119.5(3) . . ?
C22 C27 H27 107.8 . . ?
C22 C27 C28 111.7(3) . . ?
C22 C27 C29 111.7(3) . . ?
C28 C27 H27 107.8 . . ?
C29 C27 H27 107.8 . . ?
C29 C27 C28 109.9(3) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 H30 108.1 . . ?
C26 C30 C31 110.5(3) . . ?
C26 C30 C32 112.0(3) . . ?
C31 C30 H30 108.1 . . ?
C31 C30 C32 110.1(3) . . ?
C32 C30 H30 108.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C36 116.6(3) . . ?
N3 C33 C34 122.1(3) . . ?
N3 C33 C36 121.2(3) . . ?
C33 C34 H34 115.7 . . ?
C35 C34 C33 128.6(3) . . ?
C35 C34 H34 115.7 . . ?
C34 C35 C37 115.6(3) . . ?
N4 C35 C34 124.4(3) . . ?
N4 C35 C37 120.0(3) . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 N4 120.1(3) . . ?
C43 C38 C39 121.2(3) . . ?
C43 C38 N4 118.5(3) . . ?
C38 C39 C44 122.9(3) . . ?
C40 C39 C38 117.8(4) . . ?
C40 C39 C44 119.3(4) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 C39 121.4(4) . . ?
C41 C40 H40 119.3 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.9(4) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 119.4 . . ?
C41 C42 C43 121.1(4) . . ?
C43 C42 H42 119.4 . . ?
C38 C43 C42 118.4(4) . . ?
C38 C43 C47 121.7(3) . . ?
C42 C43 C47 119.9(4) . . ?
C39 C44 H44 108.3 . . ?
C39 C44 C45 111.9(4) . . ?
C39 C44 C46 111.2(4) . . ?
C45 C44 H44 108.3 . . ?
C46 C44 H44 108.3 . . ?
C46 C44 C45 108.8(4) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47 107.0 . . ?
C43 C47 C48 112.7(4) . . ?
C43 C47 C49 111.4(4) . . ?
C48 C47 H47 107.0 . . ?
C49 C47 H47 107.0 . . ?
C49 C47 C48 111.4(4) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
Cl Ga Ge 91.26(2) . . ?
Cl Ga P 124.07(3) . . ?
N3 Ga Cl 98.64(9) . . ?
N3 Ga Ge 163.34(9) . . ?
N3 Ga P 96.92(9) . . ?
N4 Ga Cl 100.18(9) . . ?
N4 Ga Ge 97.13(9) . . ?
N4 Ga N3 94.29(12) . . ?
N4 Ga P 131.68(9) . . ?
P Ga Ge 66.42(3) . . ?
C1 Ge C10 115.30(14) . . ?
C1 Ge Ga 79.92(11) . . ?
C1 Ge N1 110.47(15) . . ?
C1 Ge N2 103.93(14) . . ?
C10 Ge Ga 151.88(9) . . ?
N1 Ge C10 32.61(12) . . ?
N1 Ge Ga 165.72(9) . . ?
N2 Ge C10 32.81(12) . . ?
N2 Ge Ga 123.52(9) . . ?
N2 Ge N1 64.78(12) . . ?
C6 N1 Ge 132.1(3) . . ?
C10 N1 C6 129.0(4) . . ?
C10 N1 Ge 91.9(2) . . ?
C10 N2 C17 130.8(3) . . ?
C10 N2 Ge 92.4(2) . . ?
C17 N2 Ge 136.1(3) . . ?
C21 N3 Ga 122.0(2) . . ?
C33 N3 C21 117.9(3) . . ?
C33 N3 Ga 120.1(2) . . ?
C35 N4 C38 115.4(3) . . ?
C35 N4 Ga 119.6(2) . . ?
C38 N4 Ga 124.8(2) . . ?
C1 P Ga 105.68(14) . . ?
C51 C50 D50 120.6 . . ?
C55 C50 D50 120.6 . . ?
C55 C50 C51 118.9(6) . . ?
C50 C51 D51 120.7 . . ?
C52 C51 C50 118.6(6) . . ?
C52 C51 D51 120.7 . . ?
C51 C52 D52 119.8 . . ?
C53 C52 C51 120.4(7) . . ?
C53 C52 D52 119.8 . . ?
C52 C53 D53 119.7 . . ?
C52 C53 C54 120.6(7) . . ?
C54 C53 D53 119.7 . . ?
C53 C54 D54 119.4 . . ?
C53 C54 C55 121.3(6) . . ?
C55 C54 D54 119.4 . . ?
C50 C55 D55 119.9 . . ?
C54 C55 C50 120.3(6) . . ?
C54 C55 D55 119.9 . . ?
C57 C56 D56 120.0 . . ?
C58 C56 D56 120.0 7_666 . ?
C58 C56 C57 120.0(5) 7_666 . ?
C56 C57 D57 120.1 . . ?
C58 C57 C56 119.7(5) . . ?
C58 C57 D57 120.1 . . ?
C56 C58 D58 119.9 7_666 . ?
C57 C58 C56 120.2(5) . 7_666 ?
C57 C58 D58 119.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.528(7) . ?
C1 C2A 1.538(15) . ?
C1 Ge 1.998(4) . ?
C1 P 1.689(4) . ?
C2 C3 1.520(10) . ?
C2 C4 1.538(12) . ?
C2 C5 1.533(11) . ?
C2A C3A 1.561(19) . ?
C2A C4A 1.52(2) . ?
C2A C5A 1.514(19) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C6 C7 1.530(7) . ?
C6 C8 1.513(6) . ?
C6 C9 1.529(7) . ?
C6 N1 1.480(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.486(5) . ?
C10 Ge 2.470(4) . ?
C10 N1 1.332(5) . ?
C10 N2 1.339(5) . ?
C11 C12 1.389(6) . ?
C11 C16 1.388(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.380(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.392(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.375(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.526(6) . ?
C17 C19 1.527(6) . ?
C17 C20 1.523(6) . ?
C17 N2 1.472(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.400(5) . ?
C21 C26 1.403(5) . ?
C21 N3 1.458(4) . ?
C22 C23 1.394(5) . ?
C22 C27 1.521(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.371(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.394(5) . ?
C26 C30 1.513(5) . ?
C27 H27 1.0000 . ?
C27 C28 1.530(6) . ?
C27 C29 1.529(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30 1.0000 . ?
C30 C31 1.530(6) . ?
C30 C32 1.531(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.404(5) . ?
C33 C36 1.504(5) . ?
C33 N3 1.323(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.401(5) . ?
C35 C37 1.508(5) . ?
C35 N4 1.336(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.411(6) . ?
C38 C43 1.397(6) . ?
C38 N4 1.448(5) . ?
C39 C40 1.395(6) . ?
C39 C44 1.523(6) . ?
C40 H40 0.9500 . ?
C40 C41 1.384(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.374(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.399(6) . ?
C43 C47 1.519(6) . ?
C44 H44 1.0000 . ?
C44 C45 1.541(6) . ?
C44 C46 1.532(6) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47 1.0000 . ?
C47 C48 1.529(6) . ?
C47 C49 1.519(6) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
Cl Ga 2.3495(9) . ?
Ga Ge 2.9779(6) . ?
Ga N3 1.993(3) . ?
Ga N4 1.968(3) . ?
Ga P 2.3955(11) . ?
Ge N1 2.037(3) . ?
Ge N2 2.018(3) . ?
C50 D50 0.9500 . ?
C50 C51 1.416(10) . ?
C50 C55 1.366(9) . ?
C51 D51 0.9500 . ?
C51 C52 1.384(10) . ?
C52 D52 0.9500 . ?
C52 C53 1.347(10) . ?
C53 D53 0.9500 . ?
C53 C54 1.348(9) . ?
C54 D54 0.9500 . ?
C54 C55 1.355(8) . ?
C55 D55 0.9500 . ?
C56 D56 0.9500 . ?
C56 C57 1.383(7) . ?
C56 C58 1.383(7) 7_666 ?
C57 D57 0.9500 . ?
C57 C58 1.361(7) . ?
C58 D58 0.9500 . ?
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
C2 C1 P Ga 173.7(5) . . . . ?
C2A C1 P Ga -178.7(10) . . . . ?
C7 C6 N1 C10 165.1(5) . . . . ?
C7 C6 N1 Ge 23.0(6) . . . . ?
C8 C6 N1 C10 -76.9(6) . . . . ?
C8 C6 N1 Ge 141.1(4) . . . . ?
C9 C6 N1 C10 47.4(6) . . . . ?
C9 C6 N1 Ge -94.6(5) . . . . ?
C10 C11 C12 C13 179.5(4) . . . . ?
C10 C11 C16 C15 -179.9(4) . . . . ?
C11 C10 N1 C6 13.7(6) . . . . ?
C11 C10 N1 Ge 166.5(3) . . . . ?
C11 C10 N2 C17 5.6(6) . . . . ?
C11 C10 N2 Ge -166.4(3) . . . . ?
C11 C12 C13 C14 0.3(8) . . . . ?
C12 C11 C16 C15 -0.5(7) . . . . ?
C12 C13 C14 C15 -0.3(8) . . . . ?
C13 C14 C15 C16 -0.1(9) . . . . ?
C14 C15 C16 C11 0.5(8) . . . . ?
C16 C11 C12 C13 0.1(7) . . . . ?
C18 C17 N2 C10 44.0(6) . . . . ?
C18 C17 N2 Ge -147.5(3) . . . . ?
C19 C17 N2 C10 -79.8(5) . . . . ?
C19 C17 N2 Ge 88.7(4) . . . . ?
C20 C17 N2 C10 162.3(4) . . . . ?
C20 C17 N2 Ge -29.2(5) . . . . ?
C21 C22 C23 C24 2.5(6) . . . . ?
C21 C22 C27 C28 -132.4(4) . . . . ?
C21 C22 C27 C29 104.0(4) . . . . ?
C21 C26 C30 C31 107.4(4) . . . . ?
C21 C26 C30 C32 -129.5(4) . . . . ?
C22 C21 C26 C25 1.0(5) . . . . ?
C22 C21 C26 C30 -177.6(3) . . . . ?
C22 C21 N3 C33 -87.8(4) . . . . ?
C22 C21 N3 Ga 94.9(3) . . . . ?
C22 C23 C24 C25 -0.7(6) . . . . ?
C23 C22 C27 C28 47.8(5) . . . . ?
C23 C22 C27 C29 -75.8(5) . . . . ?
C23 C24 C25 C26 -1.0(6) . . . . ?
C24 C25 C26 C21 0.8(6) . . . . ?
C24 C25 C26 C30 179.5(4) . . . . ?
C25 C26 C30 C31 -71.2(4) . . . . ?
C25 C26 C30 C32 51.9(5) . . . . ?
C26 C21 C22 C23 -2.6(5) . . . . ?
C26 C21 C22 C27 177.6(3) . . . . ?
C26 C21 N3 C33 92.9(4) . . . . ?
C26 C21 N3 Ga -84.4(4) . . . . ?
C27 C22 C23 C24 -177.7(4) . . . . ?
C33 C34 C35 C37 -161.3(4) . . . . ?
C33 C34 C35 N4 16.3(6) . . . . ?
C34 C33 N3 C21 162.0(3) . . . . ?
C34 C33 N3 Ga -20.7(5) . . . . ?
C34 C35 N4 C38 -175.7(3) . . . . ?
C34 C35 N4 Ga 8.9(5) . . . . ?
C36 C33 C34 C35 168.0(4) . . . . ?
C36 C33 N3 C21 -15.2(5) . . . . ?
C36 C33 N3 Ga 162.1(3) . . . . ?
C37 C35 N4 C38 1.8(5) . . . . ?
C37 C35 N4 Ga -173.6(3) . . . . ?
C38 C39 C40 C41 -0.1(7) . . . . ?
C38 C39 C44 C45 129.0(4) . . . . ?
C38 C39 C44 C46 -109.1(4) . . . . ?
C38 C43 C47 C48 137.7(4) . . . . ?
C38 C43 C47 C49 -96.2(4) . . . . ?
C39 C38 C43 C42 5.9(6) . . . . ?
C39 C38 C43 C47 -176.8(4) . . . . ?
C39 C38 N4 C35 -78.4(4) . . . . ?
C39 C38 N4 Ga 96.7(4) . . . . ?
C39 C40 C41 C42 3.6(7) . . . . ?
C40 C39 C44 C45 -48.8(5) . . . . ?
C40 C39 C44 C46 73.2(5) . . . . ?
C40 C41 C42 C43 -2.3(7) . . . . ?
C41 C42 C43 C38 -2.4(6) . . . . ?
C41 C42 C43 C47 -179.7(4) . . . . ?
C42 C43 C47 C48 -45.1(5) . . . . ?
C42 C43 C47 C49 81.1(5) . . . . ?
C43 C38 C39 C40 -4.6(6) . . . . ?
C43 C38 C39 C44 177.6(4) . . . . ?
C43 C38 N4 C35 96.4(4) . . . . ?
C43 C38 N4 Ga -88.5(4) . . . . ?
C44 C39 C40 C41 177.7(4) . . . . ?
Ge C1 C2 C3 -174.6(6) . . . . ?
Ge C1 C2 C4 -51.9(10) . . . . ?
Ge C1 C2 C5 66.3(9) . . . . ?
Ge C1 C2A C3A -139.4(15) . . . . ?
Ge C1 C2A C4A -18(2) . . . . ?
Ge C1 C2A C5A 98.5(19) . . . . ?
Ge C1 P Ga -4.89(19) . . . . ?
Ge C10 C11 C12 169.3(12) . . . . ?
Ge C10 C11 C16 -11.3(17) . . . . ?
Ge C10 N1 C6 -152.8(5) . . . . ?
Ge C10 N2 C17 172.1(5) . . . . ?
N1 C10 C11 C12 77.7(5) . . . . ?
N1 C10 C11 C16 -103.0(5) . . . . ?
N1 C10 N2 C17 -174.8(4) . . . . ?
N1 C10 N2 Ge 13.2(3) . . . . ?
N2 C10 C11 C12 -102.8(5) . . . . ?
N2 C10 C11 C16 76.6(5) . . . . ?
N2 C10 N1 C6 -165.9(4) . . . . ?
N2 C10 N1 Ge -13.1(3) . . . . ?
N3 C21 C22 C23 178.1(3) . . . . ?
N3 C21 C22 C27 -1.7(5) . . . . ?
N3 C21 C26 C25 -179.7(3) . . . . ?
N3 C21 C26 C30 1.7(5) . . . . ?
N3 C33 C34 C35 -9.3(6) . . . . ?
N4 C38 C39 C40 170.0(4) . . . . ?
N4 C38 C39 C44 -7.8(6) . . . . ?
N4 C38 C43 C42 -168.9(3) . . . . ?
N4 C38 C43 C47 8.5(5) . . . . ?
P C1 C2 C3 7.1(10) . . . . ?
P C1 C2 C4 129.8(7) . . . . ?
P C1 C2 C5 -112.0(6) . . . . ?
P C1 C2A C3A 32(2) . . . . ?
P C1 C2A C4A 153.6(17) . . . . ?
P C1 C2A C5A -89.8(16) . . . . ?
C50 C51 C52 C53 -1.4(9) . . . . ?
C51 C50 C55 C54 -0.1(8) . . . . ?
C51 C52 C53 C54 1.8(10) . . . . ?
C52 C53 C54 C55 -1.3(10) . . . . ?
C53 C54 C55 C50 0.5(9) . . . . ?
C55 C50 C51 C52 0.5(9) . . . . ?
C56 C57 C58 C56 -1.3(9) . . . 7_666 ?
C58 C56 C57 C58 1.3(9) 7_666 . . . ?
