#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:36:55 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290830 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/26/7132689.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_7132689
loop_
_publ_author_name
'Bücker, Anna'
'Gehlhaar, Alexander'
'Wölper, Christoph'
'Schulz, Stephan'
_publ_section_title
;
 Activation of non-polar bonds by an electron-rich gallagermylene.
;
_journal_issue                   21
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2902
_journal_page_last               2905
_journal_paper_doi               10.1039/d3cc06223f
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C56 H71 Cl Ga Ge N2'
_chemical_formula_weight         949.90
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-12-21 deposited with the CCDC.	2024-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                98.212(4)
_cell_angle_beta                 91.794(4)
_cell_angle_gamma                114.236(4)
_cell_formula_units_Z            2
_cell_length_a                   11.3222(11)
_cell_length_b                   12.2948(12)
_cell_length_c                   20.0701(19)
_cell_measurement_reflns_used    9592
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.74
_cell_measurement_theta_min      2.25
_cell_volume                     2508.9(4)
_computing_cell_refinement       'BRUKER APEX3(v2019.1-0)'
_computing_data_collection       'BRUKER APEX3(v2019.1-0)'
_computing_data_reduction        'BRUKER APEX3(v2019.1-0)'
_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'BRUKER APEX3(v2019.1-0)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 KAPPA II (APEX II detector)'
_diffrn_measurement_method       'Data collection strategy APEX 3/Queen'
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0918
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            191527
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.829
_diffrn_reflns_theta_min         2.061
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.226
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Blessing, Acta Cryst 1995 A51 33-38'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_description       block
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.281
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.139
_refine_diff_density_max         1.189
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         18497
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0424
_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)+(0.0612P)²+0.3058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1106
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13581
_reflns_number_total             18497
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc06223f2.cif
_cod_data_source_block           ab_316m
_cod_depositor_comments
'Adding full bibliography for 7132689--7132690.cif.'
_cod_database_code               7132689
_shelx_shelxl_version_number     2017/1
_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. 
;
_shelx_estimated_absorpt_t_min   0.724
_shelx_estimated_absorpt_t_max   0.848
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.78246(2) 0.88790(2) 0.28320(2) 0.02077(5) Uani 1 1 d . . . . .
H1A H 0.878(2) 0.977(2) 0.3317(12) 0.037(6) Uiso 1 1 d . . . . .
H1B H 0.815(3) 0.794(3) 0.2821(14) 0.055(8) Uiso 1 1 d . . . . .
Ga1 Ga 0.84538(2) 0.95183(2) 0.17524(2) 0.01527(4) Uani 1 1 d . . . . .
Cl1 Cl 0.70705(4) 0.85857(3) 0.08211(2) 0.02204(8) Uani 1 1 d . . . . .
N1 N 0.91956(13) 1.12055(12) 0.16209(7) 0.0175(2) Uani 1 1 d . . . . .
N2 N 0.99898(13) 0.92398(12) 0.15323(7) 0.0170(2) Uani 1 1 d . . . . .
C1 C 1.00345(16) 1.15224(14) 0.11525(8) 0.0188(3) Uani 1 1 d . . . . .
C2 C 1.06092(16) 1.07950(14) 0.08423(8) 0.0193(3) Uani 1 1 d . . . . .
H2 H 1.099603 1.101227 0.044006 0.023 Uiso 1 1 calc R U . . .
C3 C 1.06835(15) 0.97871(14) 0.10522(8) 0.0180(3) Uani 1 1 d . . . . .
C4 C 1.04334(19) 1.27478(16) 0.09473(10) 0.0278(4) Uani 1 1 d . . . . .
H4A H 1.101613 1.282590 0.058858 0.042 Uiso 1 1 calc R U . . .
H4B H 1.088583 1.338173 0.133922 0.042 Uiso 1 1 calc R U . . .
H4C H 0.965757 1.283219 0.078085 0.042 Uiso 1 1 calc R U . . .
C5 C 1.16033(17) 0.93267(16) 0.07198(9) 0.0248(3) Uani 1 1 d . . . . .
H5A H 1.110375 0.857608 0.040136 0.037 Uiso 1 1 calc R U . . .
H5B H 1.211336 0.916851 0.106622 0.037 Uiso 1 1 calc R U . . .
H5C H 1.219124 0.993603 0.047562 0.037 Uiso 1 1 calc R U . . .
C6 C 0.87862(17) 1.20897(14) 0.19596(9) 0.0210(3) Uani 1 1 d . . . . .
C7 C 0.77458(18) 1.22542(15) 0.16630(10) 0.0258(4) Uani 1 1 d . . . . .
C8 C 0.7399(2) 1.31386(18) 0.20070(11) 0.0348(4) Uani 1 1 d . . . . .
H8 H 0.669291 1.326113 0.181810 0.042 Uiso 1 1 calc R U . . .
C9 C 0.8064(3) 1.38325(19) 0.26133(12) 0.0413(5) Uani 1 1 d . . . . .
H9 H 0.782518 1.443766 0.283468 0.050 Uiso 1 1 calc R U . . .
C10 C 0.9075(2) 1.36506(17) 0.28995(10) 0.0355(5) Uani 1 1 d . . . . .
H10 H 0.951801 1.412772 0.332145 0.043 Uiso 1 1 calc R U . . .
C11 C 0.94634(18) 1.27850(15) 0.25854(9) 0.0262(4) Uani 1 1 d . . . . .
C12 C 0.69746(18) 1.15180(16) 0.09982(10) 0.0270(4) Uani 1 1 d . . . . .
H12 H 0.738850 1.097764 0.080906 0.032 Uiso 1 1 calc R U . . .
C13 C 0.6971(2) 1.23139(19) 0.04754(11) 0.0359(4) Uani 1 1 d . . . . .
H13A H 0.645356 1.179948 0.005740 0.054 Uiso 1 1 calc R U . . .
H13B H 0.786601 1.278214 0.037958 0.054 Uiso 1 1 calc R U . . .
H13C H 0.659072 1.286816 0.065534 0.054 Uiso 1 1 calc R U . . .
C14 C 0.5568(2) 1.0715(2) 0.11098(13) 0.0420(5) Uani 1 1 d . . . . .
H14A H 0.510502 1.019982 0.068097 0.063 Uiso 1 1 calc R U . . .
H14B H 0.513022 1.122678 0.127656 0.063 Uiso 1 1 calc R U . . .
H14C H 0.557204 1.020613 0.144295 0.063 Uiso 1 1 calc R U . . .
C15 C 1.0607(15) 1.2573(11) 0.2883(7) 0.0272(13) Uani 0.671(15) 1 d . . P A 1
H15 H 1.039102 1.168868 0.277531 0.033 Uiso 0.671(15) 1 calc R U P A 1
C16 C 1.1868(4) 1.3256(4) 0.2606(3) 0.0384(11) Uani 0.671(15) 1 d . U P A 1
H16A H 1.185122 1.286569 0.214233 0.058 Uiso 0.671(15) 1 calc R U P A 1
H16B H 1.258980 1.325656 0.288886 0.058 Uiso 0.671(15) 1 calc R U P A 1
H16C H 1.198668 1.409158 0.260574 0.058 Uiso 0.671(15) 1 calc R U P A 1
C17 C 1.0805(8) 1.2960(10) 0.3668(4) 0.063(2) Uani 0.671(15) 1 d . U P A 1
H17A H 1.113976 1.384325 0.378196 0.095 Uiso 0.671(15) 1 calc R U P A 1
H17B H 1.142835 1.269514 0.385900 0.095 Uiso 0.671(15) 1 calc R U P A 1
H17C H 0.997001 1.258582 0.385472 0.095 Uiso 0.671(15) 1 calc R U P A 1
C15' C 1.058(3) 1.273(2) 0.2948(15) 0.0272(13) Uani 0.329(15) 1 d . . P A 2
H15' H 1.065365 1.199571 0.269843 0.033 Uiso 0.329(15) 1 calc R U P A 2
C16' C 1.1914(9) 1.3822(19) 0.2878(8) 0.070(5) Uani 0.329(15) 1 d . U P A 2
H16D H 1.263404 1.358968 0.294533 0.104 Uiso 0.329(15) 1 calc R U P A 2
H16E H 1.203633 1.452370 0.321995 0.104 Uiso 0.329(15) 1 calc R U P A 2
H16F H 1.189561 1.403147 0.242586 0.104 Uiso 0.329(15) 1 calc R U P A 2
C17' C 1.0501(11) 1.2542(11) 0.3647(8) 0.034(2) Uani 0.329(15) 1 d . U P A 2
H17D H 0.968302 1.184964 0.368254 0.052 Uiso 0.329(15) 1 calc R U P A 2
H17E H 1.052670 1.326894 0.393305 0.052 Uiso 0.329(15) 1 calc R U P A 2
H17F H 1.123627 1.238077 0.379729 0.052 Uiso 0.329(15) 1 calc R U P A 2
C18 C 1.03220(16) 0.84083(15) 0.18502(8) 0.0204(3) Uani 1 1 d . . . . .
C19 C 0.97368(17) 0.71639(16) 0.15917(9) 0.0231(3) Uani 1 1 d . . . . .
C20 C 0.9997(2) 0.63862(18) 0.19592(11) 0.0329(4) Uani 1 1 d . . . . .
H20 H 0.960039 0.553895 0.179729 0.040 Uiso 1 1 calc R U . . .
C21 C 1.0810(2) 0.6823(2) 0.25460(13) 0.0428(5) Uani 1 1 d . . . . .
H21 H 1.095948 0.627721 0.279134 0.051 Uiso 1 1 calc R U . . .
C22 C 1.1415(2) 0.8050(2) 0.27832(12) 0.0394(5) Uani 1 1 d . . . . .
H22 H 1.199362 0.834239 0.318606 0.047 Uiso 1 1 calc R U . . .
C23 C 1.11921(18) 0.88721(18) 0.24418(9) 0.0269(4) Uani 1 1 d . . . . .
C24 C 0.88392(17) 0.66319(15) 0.09444(9) 0.0225(3) Uani 1 1 d . . . . .
H24 H 0.886314 0.731202 0.071672 0.027 Uiso 1 1 calc R U . . .
C25 C 0.9280(2) 0.58194(18) 0.04622(11) 0.0340(4) Uani 1 1 d . . . . .
H25A H 0.873164 0.554814 0.003068 0.051 Uiso 1 1 calc R U . . .
H25B H 0.920068 0.511437 0.066307 0.051 Uiso 1 1 calc R U . . .
H25C H 1.018933 0.627608 0.038427 0.051 Uiso 1 1 calc R U . . .
C26 C 0.74396(19) 0.59140(17) 0.10937(11) 0.0305(4) Uani 1 1 d . . . . .
H26A H 0.686555 0.560918 0.067000 0.046 Uiso 1 1 calc R U . . .
H26B H 0.716267 0.644155 0.139921 0.046 Uiso 1 1 calc R U . . .
H26C H 0.739342 0.523106 0.130760 0.046 Uiso 1 1 calc R U . . .
C27 C 1.1918(2) 1.0218(2) 0.26954(10) 0.0339(4) Uani 1 1 d . . . . .
H27 H 1.139238 1.062228 0.252287 0.041 Uiso 1 1 calc R U . . .
C28 C 1.3244(3) 1.0728(3) 0.24167(13) 0.0606(8) Uani 1 1 d . . . . .
H28A H 1.311749 1.065495 0.192424 0.091 Uiso 1 1 calc R U . . .
H28B H 1.373805 1.027359 0.252795 0.091 Uiso 1 1 calc R U . . .
H28C H 1.372457 1.158285 0.261921 0.091 Uiso 1 1 calc R U . . .
C29 C 1.2100(2) 1.0544(3) 0.34665(11) 0.0469(6) Uani 1 1 d . . . . .
H29A H 1.251812 1.142646 0.360040 0.070 Uiso 1 1 calc R U . . .
H29B H 1.265028 1.019263 0.364918 0.070 Uiso 1 1 calc R U . . .
H29C H 1.125023 1.022243 0.364477 0.070 Uiso 1 1 calc R U . . .
C30 C 0.61589(16) 0.85222(16) 0.32269(8) 0.0207(3) Uani 1 1 d . . . . .
C31 C 0.60698(17) 0.92681(17) 0.38093(8) 0.0247(3) Uani 1 1 d . . . . .
C32 C 0.49101(19) 0.8925(2) 0.41181(9) 0.0333(4) Uani 1 1 d . . . . .
H32 H 0.485891 0.944041 0.450598 0.040 Uiso 1 1 calc R U . . .
C33 C 0.38372(18) 0.7857(2) 0.38739(10) 0.0322(4) Uani 1 1 d . . . . .
H33 H 0.305816 0.763615 0.409083 0.039 Uiso 1 1 calc R U . . .
C34 C 0.39201(18) 0.71221(18) 0.33111(9) 0.0287(4) Uani 1 1 d . . . . .
H34 H 0.319059 0.638230 0.314171 0.034 Uiso 1 1 calc R U . . .
C35 C 0.50548(16) 0.74390(16) 0.29821(8) 0.0215(3) Uani 1 1 d . . . . .
C36 C 0.71455(17) 1.04169(17) 0.41791(9) 0.0257(3) Uani 1 1 d . . . . .
C37 C 0.80194(19) 1.03465(18) 0.46642(9) 0.0282(4) Uani 1 1 d . . . . .
C38 C 0.8879(2) 1.14057(19) 0.50858(9) 0.0332(4) Uani 1 1 d . . . . .
H38 H 0.947560 1.135909 0.541181 0.040 Uiso 1 1 calc R U . . .
C39 C 0.8885(2) 1.25189(19) 0.50414(10) 0.0357(5) Uani 1 1 d . . . . .
C40 C 0.8025(2) 1.25738(19) 0.45593(11) 0.0354(4) Uani 1 1 d . . . . .
H40 H 0.802722 1.333640 0.452189 0.042 Uiso 1 1 calc R U . . .
C41 C 0.71465(19) 1.15377(19) 0.41230(10) 0.0308(4) Uani 1 1 d . . . . .
C42 C 0.7993(2) 0.9144(2) 0.47529(11) 0.0385(5) Uani 1 1 d . . . . .
H42A H 0.813254 0.874223 0.432406 0.058 Uiso 1 1 calc R U . . .
H42B H 0.714666 0.863631 0.489119 0.058 Uiso 1 1 calc R U . . .
H42C H 0.868389 0.926864 0.510133 0.058 Uiso 1 1 calc R U . . .
C43 C 0.9820(3) 1.3647(2) 0.55039(12) 0.0499(6) Uani 1 1 d . . . . .
H43A H 1.062113 1.401970 0.528840 0.075 Uiso 1 1 calc R U . . .
H43B H 1.002513 1.343470 0.593172 0.075 Uiso 1 1 calc R U . . .
H43C H 0.942079 1.421865 0.559230 0.075 Uiso 1 1 calc R U . . .
C44 C 0.6203(2) 1.1638(2) 0.36177(13) 0.0455(5) Uani 1 1 d . . . . .
H44A H 0.634913 1.135399 0.315946 0.068 Uiso 1 1 calc R U . . .
H44B H 0.633351 1.248444 0.365919 0.068 Uiso 1 1 calc R U . . .
H44C H 0.531021 1.114000 0.370511 0.068 Uiso 1 1 calc R U . . .
C45 C 0.49602(16) 0.65165(15) 0.23821(8) 0.0218(3) Uani 1 1 d . . . . .
C46 C 0.51665(18) 0.54958(17) 0.24822(10) 0.0270(4) Uani 1 1 d . . . . .
C47 C 0.48446(19) 0.45399(17) 0.19432(11) 0.0327(4) Uani 1 1 d . . . . .
H47 H 0.497425 0.384623 0.201136 0.039 Uiso 1 1 calc R U . . .
C48 C 0.43426(18) 0.45702(18) 0.13125(11) 0.0333(4) Uani 1 1 d . . . . .
C49 C 0.41464(18) 0.55833(18) 0.12219(10) 0.0297(4) Uani 1 1 d . . . . .
H49 H 0.380762 0.561699 0.079004 0.036 Uiso 1 1 calc R U . . .
C50 C 0.44339(17) 0.65554(16) 0.17489(9) 0.0234(3) Uani 1 1 d . . . . .
C51 C 0.5668(2) 0.5402(2) 0.31635(12) 0.0409(5) Uani 1 1 d . . . . .
H51A H 0.569299 0.461076 0.314367 0.061 Uiso 1 1 calc R U . . .
H51B H 0.509137 0.549061 0.350041 0.061 Uiso 1 1 calc R U . . .
H51C H 0.654734 0.604368 0.329108 0.061 Uiso 1 1 calc R U . . .
C52 C 0.4024(2) 0.3535(2) 0.07340(14) 0.0491(6) Uani 1 1 d . . . . .
H52A H 0.329746 0.347748 0.043108 0.074 Uiso 1 1 calc R U . . .
H52B H 0.378021 0.277748 0.091188 0.074 Uiso 1 1 calc R U . . .
H52C H 0.478769 0.367587 0.048293 0.074 Uiso 1 1 calc R U . . .
C53 C 0.4108(2) 0.75903(19) 0.16400(10) 0.0313(4) Uani 1 1 d . . . . .
H53A H 0.405173 0.762210 0.115540 0.047 Uiso 1 1 calc R U . . .
H53B H 0.478919 0.835162 0.188153 0.047 Uiso 1 1 calc R U . . .
H53C H 0.327066 0.747124 0.181198 0.047 Uiso 1 1 calc R U . . .
C1_1 C 0.6173(3) 0.5995(3) 0.51056(16) 0.0608(8) Uani 1 1 d . . . . .
H1_1 H 0.698799 0.668222 0.517304 0.073 Uiso 1 1 calc R U . . .
C2_1 C 0.5045(3) 0.6133(3) 0.50187(15) 0.0596(7) Uani 1 1 d . . . . .
H2_1 H 0.507370 0.692050 0.503741 0.072 Uiso 1 1 calc R U . . .
C3_1 C 0.3876(3) 0.5144(3) 0.49048(16) 0.0589(7) Uani 1 1 d . . . . .
H3_1 H 0.309441 0.524222 0.483274 0.071 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'
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'
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
C30 Ge1 Ga1 129.19(5) . . ?
N1 Ga1 N2 95.28(6) . . ?
N1 Ga1 Cl1 102.23(4) . . ?
N2 Ga1 Cl1 103.10(4) . . ?
N1 Ga1 Ge1 123.91(4) . . ?
N2 Ga1 Ge1 108.79(4) . . ?
Cl1 Ga1 Ge1 119.281(14) . . ?
C1 N1 C6 118.81(13) . . ?
C1 N1 Ga1 118.19(11) . . ?
C6 N1 Ga1 122.73(10) . . ?
C3 N2 C18 120.72(13) . . ?
C3 N2 Ga1 118.45(11) . . ?
C18 N2 Ga1 120.72(10) . . ?
N1 C1 C2 124.16(14) . . ?
N1 C1 C4 119.48(15) . . ?
C2 C1 C4 116.33(14) . . ?
C3 C2 C1 127.87(14) . . ?
N2 C3 C2 122.86(14) . . ?
N2 C3 C5 119.97(14) . . ?
C2 C3 C5 117.17(14) . . ?
C7 C6 C11 121.39(15) . . ?
C7 C6 N1 120.08(15) . . ?
C11 C6 N1 118.52(16) . . ?
C8 C7 C6 117.88(18) . . ?
C8 C7 C12 118.69(18) . . ?
C6 C7 C12 123.42(15) . . ?
C9 C8 C7 121.2(2) . . ?
C8 C9 C10 120.08(18) . . ?
C9 C10 C11 121.5(2) . . ?
C10 C11 C6 117.91(19) . . ?
C10 C11 C15' 114.8(9) . . ?
C6 C11 C15' 127.3(9) . . ?
C10 C11 C15 123.0(4) . . ?
C6 C11 C15 119.1(4) . . ?
C7 C12 C14 110.66(17) . . ?
C7 C12 C13 112.49(15) . . ?
C14 C12 C13 109.55(17) . . ?
C16 C15 C11 113.1(10) . . ?
C16 C15 C17 108.2(9) . . ?
C11 C15 C17 110.2(8) . . ?
C17' C15' C11 118(2) . . ?
C17' C15' C16' 110(2) . . ?
C11 C15' C16' 112(2) . . ?
C19 C18 C23 121.29(16) . . ?
C19 C18 N2 120.44(15) . . ?
C23 C18 N2 118.19(15) . . ?
C20 C19 C18 117.92(17) . . ?
C20 C19 C24 118.99(16) . . ?
C18 C19 C24 123.09(15) . . ?
C21 C20 C19 121.31(19) . . ?
C20 C21 C22 120.29(19) . . ?
C21 C22 C23 121.2(2) . . ?
C22 C23 C18 117.96(19) . . ?
C22 C23 C27 120.00(18) . . ?
C18 C23 C27 122.00(16) . . ?
C19 C24 C26 110.66(14) . . ?
C19 C24 C25 111.16(16) . . ?
C26 C24 C25 109.97(15) . . ?
C23 C27 C29 113.13(19) . . ?
C23 C27 C28 111.1(2) . . ?
C29 C27 C28 109.49(18) . . ?
C35 C30 C31 117.63(15) . . ?
C35 C30 Ge1 120.69(12) . . ?
C31 C30 Ge1 121.30(13) . . ?
C32 C31 C30 119.96(17) . . ?
C32 C31 C36 113.41(15) . . ?
C30 C31 C36 126.55(15) . . ?
C33 C32 C31 121.73(17) . . ?
C34 C33 C32 118.64(17) . . ?
C33 C34 C35 121.42(17) . . ?
C34 C35 C30 120.60(16) . . ?
C34 C35 C45 113.53(15) . . ?
C30 C35 C45 125.85(15) . . ?
C41 C36 C37 119.87(17) . . ?
C41 C36 C31 120.14(17) . . ?
C37 C36 C31 119.15(17) . . ?
C38 C37 C36 119.09(19) . . ?
C38 C37 C42 120.20(18) . . ?
C36 C37 C42 120.65(17) . . ?
C39 C38 C37 121.8(2) . . ?
C40 C39 C38 118.41(19) . . ?
C40 C39 C43 120.9(2) . . ?
C38 C39 C43 120.7(2) . . ?
C39 C40 C41 122.0(2) . . ?
C36 C41 C40 118.88(19) . . ?
C36 C41 C44 121.06(19) . . ?
C40 C41 C44 120.0(2) . . ?
C50 C45 C46 119.86(16) . . ?
C50 C45 C35 119.65(16) . . ?
C46 C45 C35 119.41(16) . . ?
C47 C46 C45 118.88(18) . . ?
C47 C46 C51 120.00(19) . . ?
C45 C46 C51 121.06(18) . . ?
C48 C47 C46 122.05(18) . . ?
C47 C48 C49 118.36(18) . . ?
C47 C48 C52 121.1(2) . . ?
C49 C48 C52 120.5(2) . . ?
C48 C49 C50 121.73(19) . . ?
C49 C50 C45 119.10(17) . . ?
C49 C50 C53 119.67(17) . . ?
C45 C50 C53 121.14(16) . . ?
C2_1 C1_1 C3_1 119.7(3) . 2_666 ?
C1_1 C2_1 C3_1 120.2(3) . . ?
C2_1 C3_1 C1_1 120.1(3) . 2_666 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 C30 1.9725(16) . ?
Ge1 Ga1 2.4381(3) . ?
Ga1 N1 1.9541(13) . ?
Ga1 N2 1.9571(13) . ?
Ga1 Cl1 2.2341(5) . ?
N1 C1 1.340(2) . ?
N1 C6 1.443(2) . ?
N2 C3 1.341(2) . ?
N2 C18 1.442(2) . ?
C1 C2 1.398(2) . ?
C1 C4 1.508(2) . ?
C2 C3 1.397(2) . ?
C3 C5 1.507(2) . ?
C6 C7 1.403(3) . ?
C6 C11 1.411(2) . ?
C7 C8 1.402(3) . ?
C7 C12 1.515(3) . ?
C8 C9 1.376(3) . ?
C9 C10 1.377(3) . ?
C10 C11 1.390(3) . ?
C11 C15' 1.47(4) . ?
C11 C15 1.541(17) . ?
C12 C14 1.534(3) . ?
C12 C13 1.535(3) . ?
C15 C16 1.501(15) . ?
C15 C17 1.559(15) . ?
C15' C17' 1.45(3) . ?
C15' C16' 1.58(3) . ?
C18 C19 1.403(2) . ?
C18 C23 1.406(3) . ?
C19 C20 1.402(2) . ?
C19 C24 1.509(3) . ?
C20 C21 1.367(3) . ?
C21 C22 1.378(3) . ?
C22 C23 1.397(3) . ?
C23 C27 1.513(3) . ?
C24 C26 1.529(2) . ?
C24 C25 1.532(2) . ?
C27 C29 1.528(3) . ?
C27 C28 1.530(3) . ?
C30 C35 1.409(2) . ?
C30 C31 1.412(2) . ?
C31 C32 1.399(3) . ?
C31 C36 1.504(3) . ?
C32 C33 1.382(3) . ?
C33 C34 1.374(3) . ?
C34 C35 1.398(2) . ?
C35 C45 1.500(2) . ?
C36 C41 1.398(3) . ?
C36 C37 1.403(3) . ?
C37 C38 1.397(3) . ?
C37 C42 1.503(3) . ?
C38 C39 1.382(3) . ?
C39 C40 1.380(3) . ?
C39 C43 1.507(3) . ?
C40 C41 1.402(3) . ?
C41 C44 1.504(3) . ?
C45 C50 1.402(2) . ?
C45 C46 1.407(3) . ?
C46 C47 1.395(3) . ?
C46 C51 1.502(3) . ?
C47 C48 1.383(3) . ?
C48 C49 1.387(3) . ?
C48 C52 1.508(3) . ?
C49 C50 1.397(2) . ?
C50 C53 1.504(3) . ?
C1_1 C2_1 1.365(4) . ?
C1_1 C3_1 1.376(4) 2_666 ?
C2_1 C3_1 1.366(4) . ?
