#------------------------------------------------------------------------------
#$Date: 2023-05-05 02:39:22 +0200 (Fri 05 de May de 2023) $
#$Revision: 283131 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/11/7131185.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_7131185
loop_
_publ_author_name
'Li, Tong'
'Zhang, Li'
'He, Yuhao'
'Chen, Yizhen'
'Wang, Dongmin'
'Liu, Jingjing'
'Tan, Gengwen'
_publ_section_title
;
 A germanimidoyl chloride: synthesis, characterization and reactivity.
;
_journal_issue                   11
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1533
_journal_page_last               1536
_journal_paper_doi               10.1039/d2cc05970c
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C65 H76 Cl Ge N'
_chemical_formula_weight         979.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-11-04 deposited with the CCDC.	2023-01-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.586(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.0823(10)
_cell_length_b                   26.4574(17)
_cell_length_c                   14.7964(10)
_cell_measurement_reflns_used    9815
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      47.64
_cell_measurement_theta_min      2.91
_cell_volume                     5596.4(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0969
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            72960
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.448
_diffrn_reflns_theta_min         2.689
_exptl_absorpt_coefficient_mu    0.963
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5904
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_description       block
_exptl_crystal_F_000             2088
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.986
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       0.00026(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         10335
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1290
_refine_ls_R_factor_gt           0.0746
_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)+(0.1119P)²+7.4189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2277
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6455
_reflns_number_total             10335
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc05970c2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7131185--7131189.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7131185
_shelx_shelxl_version_number     2014/7
_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   0.869
_shelx_estimated_absorpt_t_max   0.910
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.61048(4) 0.34613(2) 0.30678(4) 0.0515(2) Uani 1 1 d . U . . .
Cl1 Cl 0.45965(8) 0.33163(4) 0.24087(8) 0.0527(3) Uani 1 1 d . U . . .
N1 N 0.7016(3) 0.30810(16) 0.3324(3) 0.0624(11) Uani 1 1 d . . . . .
C1 C 0.6284(3) 0.41476(16) 0.3535(3) 0.0419(10) Uani 1 1 d . . . . .
C2 C 0.6225(3) 0.45730(16) 0.2940(3) 0.0385(10) Uani 1 1 d . . . . .
C3 C 0.6317(3) 0.50580(16) 0.3314(3) 0.0409(10) Uani 1 1 d . . . . .
C4 C 0.6488(3) 0.51433(16) 0.4285(3) 0.0434(10) Uani 1 1 d . . . . .
H4A H 0.6548 0.5478 0.4530 0.052 Uiso 1 1 calc R U . . .
C5 C 0.6569(3) 0.47320(16) 0.4886(3) 0.0393(10) Uani 1 1 d . . . . .
C6 C 0.6460(3) 0.42370(16) 0.4523(3) 0.0406(10) Uani 1 1 d . . . . .
C7 C 0.6135(3) 0.51624(16) 0.1661(3) 0.0475(11) Uani 1 1 d . . . . .
H7A H 0.6690 0.5236 0.1464 0.057 Uiso 1 1 calc R U . . .
H7B H 0.5569 0.5260 0.1133 0.057 Uiso 1 1 calc R U . . .
C8 C 0.6184(3) 0.54625(16) 0.2551(3) 0.0452(10) Uani 1 1 d . . . . .
C9 C 0.7000(4) 0.5834(2) 0.2804(4) 0.0797(18) Uani 1 1 d . . . . .
H9A H 0.7015 0.6022 0.3379 0.119 Uiso 1 1 calc R U . . .
H9B H 0.7588 0.5648 0.2920 0.119 Uiso 1 1 calc R U . . .
H9C H 0.6922 0.6071 0.2275 0.119 Uiso 1 1 calc R U . . .
C10 C 0.5268(4) 0.5755(2) 0.2429(4) 0.0802(18) Uani 1 1 d . . . . .
H10A H 0.5322 0.5944 0.3014 0.120 Uiso 1 1 calc R U . . .
H10B H 0.5153 0.5990 0.1893 0.120 Uiso 1 1 calc R U . . .
H10C H 0.4747 0.5515 0.2304 0.120 Uiso 1 1 calc R U . . .
C11 C 0.6529(3) 0.41992(16) 0.6161(3) 0.0442(10) Uani 1 1 d . . . . .
H11A H 0.5895 0.4176 0.6221 0.053 Uiso 1 1 calc R U . . .
H11B H 0.6987 0.4086 0.6769 0.053 Uiso 1 1 calc R U . . .
C12 C 0.6735(3) 0.47459(16) 0.5950(3) 0.0421(10) Uani 1 1 d . . . . .
C13 C 0.6066(3) 0.51137(17) 0.6218(3) 0.0469(11) Uani 1 1 d . . . . .
H13A H 0.6198 0.5111 0.6911 0.070 Uiso 1 1 calc R U . . .
H13B H 0.6158 0.5456 0.6010 0.070 Uiso 1 1 calc R U . . .
H13C H 0.5418 0.5008 0.5903 0.070 Uiso 1 1 calc R U . . .
C14 C 0.7741(3) 0.49180(19) 0.6493(3) 0.0508(11) Uani 1 1 d . . . . .
H14A H 0.7832 0.4924 0.7179 0.076 Uiso 1 1 calc R U . . .
H14B H 0.8188 0.4682 0.6365 0.076 Uiso 1 1 calc R U . . .
H14C H 0.7844 0.5257 0.6281 0.076 Uiso 1 1 calc R U . . .
C15 C 0.6100(3) 0.45848(16) 0.1878(3) 0.0415(10) Uani 1 1 d . . . . .
C16 C 0.6859(3) 0.42984(17) 0.1597(3) 0.0454(11) Uani 1 1 d . . . . .
C17 C 0.7811(3) 0.43550(18) 0.1956(3) 0.0497(11) Uani 1 1 d . . . . .
H17A H 0.8072 0.4585 0.2465 0.060 Uiso 1 1 calc R U . . .
C18 C 0.8404(3) 0.40771(19) 0.1578(4) 0.0550(12) Uani 1 1 d . . . . .
C19 C 0.7988(3) 0.3746(2) 0.0837(4) 0.0582(13) Uani 1 1 d . . . . .
H19A H 0.8377 0.3557 0.0566 0.070 Uiso 1 1 calc R U . . .
C20 C 0.7030(3) 0.3681(2) 0.0476(4) 0.0567(13) Uani 1 1 d . . . . .
H20A H 0.6771 0.3445 -0.0023 0.068 Uiso 1 1 calc R U . . .
C21 C 0.6448(3) 0.39618(18) 0.0846(3) 0.0487(11) Uani 1 1 d . . . . .
C22 C 0.5435(3) 0.39830(16) 0.0623(3) 0.0429(10) Uani 1 1 d . . . . .
C23 C 0.4710(3) 0.37289(17) -0.0045(3) 0.0467(11) Uani 1 1 d . . . . .
H23A H 0.4840 0.3492 -0.0468 0.056 Uiso 1 1 calc R U . . .
C24 C 0.3794(3) 0.38244(17) -0.0086(3) 0.0449(11) Uani 1 1 d . . . . .
H24A H 0.3302 0.3647 -0.0539 0.054 Uiso 1 1 calc R U . . .
C25 C 0.3570(3) 0.41737(17) 0.0520(3) 0.0456(11) Uani 1 1 d . . . . .
C26 C 0.4305(3) 0.44223(17) 0.1180(3) 0.0436(10) Uani 1 1 d . . . . .
H26A H 0.4176 0.4658 0.1606 0.052 Uiso 1 1 calc R U . . .
C27 C 0.5218(3) 0.43333(16) 0.1229(3) 0.0393(10) Uani 1 1 d . . . . .
C28 C 0.2570(3) 0.4271(2) 0.0503(3) 0.0537(12) Uani 1 1 d . . . . .
C29 C 0.2395(4) 0.4848(2) 0.0554(4) 0.0693(15) Uani 1 1 d . . . . .
H29A H 0.2852 0.4990 0.1126 0.104 Uiso 1 1 calc R U . . .
H29B H 0.2460 0.5014 -0.0013 0.104 Uiso 1 1 calc R U . . .
H29C H 0.1762 0.4904 0.0582 0.104 Uiso 1 1 calc R U . . .
C30 C 0.2445(4) 0.4031(2) 0.1393(4) 0.0779(17) Uani 1 1 d . . . . .
H30A H 0.2923 0.4162 0.1961 0.117 Uiso 1 1 calc R U . . .
H30B H 0.1822 0.4113 0.1425 0.117 Uiso 1 1 calc R U . . .
H30C H 0.2509 0.3663 0.1364 0.117 Uiso 1 1 calc R U . . .
C31 C 0.1846(3) 0.4078(3) -0.0388(4) 0.0831(19) Uani 1 1 d . . . . .
H31A H 0.1219 0.4151 -0.0358 0.125 Uiso 1 1 calc R U . . .
H31B H 0.1928 0.4246 -0.0947 0.125 Uiso 1 1 calc R U . . .
H31C H 0.1920 0.3712 -0.0440 0.125 Uiso 1 1 calc R U . . .
C32 C 0.9469(3) 0.4150(2) 0.1951(4) 0.0602(13) Uani 1 1 d . . . . .
C33 C 0.9812(4) 0.4258(3) 0.3026(4) 0.0789(17) Uani 1 1 d . . . . .
H33A H 1.0493 0.4303 0.3242 0.118 Uiso 1 1 calc R U . . .
H33B H 0.9514 0.4567 0.3155 0.118 Uiso 1 1 calc R U . . .
H33C H 0.9649 0.3974 0.3366 0.118 Uiso 1 1 calc R U . . .
C34 C 0.9725(4) 0.4598(2) 0.1420(5) 0.086(2) Uani 1 1 d . . . . .
H34A H 0.9507 0.4531 0.0733 0.129 Uiso 1 1 calc R U . . .
H34B H 0.9426 0.4906 0.1551 0.129 Uiso 1 1 calc R U . . .
H34C H 1.0406 0.4643 0.1638 0.129 Uiso 1 1 calc R U . . .
C35 C 0.9983(4) 0.3677(2) 0.1775(5) 0.0808(18) Uani 1 1 d . . . . .
H35A H 0.9777 0.3600 0.1092 0.121 Uiso 1 1 calc R U . . .
H35B H 1.0659 0.3740 0.1996 0.121 Uiso 1 1 calc R U . . .
H35C H 0.9842 0.3391 0.2127 0.121 Uiso 1 1 calc R U . . .
C36 C 0.6595(3) 0.38549(16) 0.5324(3) 0.0419(10) Uani 1 1 d . . . . .
C37 C 0.7526(3) 0.35596(18) 0.5601(3) 0.0465(11) Uani 1 1 d . . . . .
C38 C 0.8418(3) 0.37355(19) 0.5731(3) 0.0501(11) Uani 1 1 d . . . . .
H38A H 0.8508 0.4079 0.5591 0.060 Uiso 1 1 calc R U . . .
C39 C 0.9192(3) 0.3418(2) 0.6064(3) 0.0570(13) Uani 1 1 d . . . . .
C40 C 0.9019(4) 0.2916(2) 0.6234(4) 0.0656(14) Uani 1 1 d . . . . .
H40A H 0.9534 0.2692 0.6462 0.079 Uiso 1 1 calc R U . . .
C41 C 0.8114(4) 0.2730(2) 0.6080(4) 0.0614(13) Uani 1 1 d . . . . .
H41A H 0.8015 0.2383 0.6185 0.074 Uiso 1 1 calc R U . . .
C42 C 0.7374(3) 0.30570(18) 0.5776(3) 0.0503(11) Uani 1 1 d . . . . .
C43 C 0.6366(3) 0.29702(17) 0.5543(3) 0.0484(11) Uani 1 1 d . . . . .
C44 C 0.5859(4) 0.25491(18) 0.5632(4) 0.0563(12) Uani 1 1 d . . . . .
H44A H 0.6170 0.2247 0.5903 0.068 Uiso 1 1 calc R U . . .
C45 C 0.4890(4) 0.25724(18) 0.5320(3) 0.0540(12) Uani 1 1 d . . . . .
H45A H 0.4548 0.2281 0.5383 0.065 Uiso 1 1 calc R U . . .
C46 C 0.4402(3) 0.30037(17) 0.4921(3) 0.0490(11) Uani 1 1 d . . . . .
C47 C 0.4930(3) 0.34374(16) 0.4881(3) 0.0458(11) Uani 1 1 d . . . . .
H47A H 0.4619 0.3745 0.4640 0.055 Uiso 1 1 calc R U . . .
C48 C 0.5885(3) 0.34203(15) 0.5187(3) 0.0428(10) Uani 1 1 d . . . . .
C49 C 0.3339(3) 0.29830(19) 0.4550(4) 0.0592(13) Uani 1 1 d . . . . .
C50 C 0.2963(4) 0.2813(2) 0.5355(5) 0.0821(18) Uani 1 1 d . . . . .
H50A H 0.2278 0.2800 0.5114 0.123 Uiso 1 1 calc R U . . .
H50B H 0.3208 0.2477 0.5579 0.123 Uiso 1 1 calc R U . . .
H50C H 0.3162 0.3054 0.5885 0.123 Uiso 1 1 calc R U . . .
C51 C 0.2894(4) 0.3498(2) 0.4173(5) 0.0728(16) Uani 1 1 d . . . . .
H51A H 0.2211 0.3464 0.3944 0.109 Uiso 1 1 calc R U . . .
H51B H 0.3076 0.3748 0.4688 0.109 Uiso 1 1 calc R U . . .
H51C H 0.3112 0.3608 0.3648 0.109 Uiso 1 1 calc R U . . .
C52 C 0.3034(4) 0.2603(2) 0.3718(4) 0.0780(17) Uani 1 1 d . . . . .
H52A H 0.2350 0.2587 0.3474 0.117 Uiso 1 1 calc R U . . .
H52B H 0.3274 0.2713 0.3207 0.117 Uiso 1 1 calc R U . . .
H52C H 0.3285 0.2268 0.3943 0.117 Uiso 1 1 calc R U . . .
C53 C 1.0184(3) 0.3617(2) 0.6290(3) 0.0709(13) Uani 1 1 d D U . . .
C54 C 1.0685(6) 0.3566(3) 0.7347(5) 0.082(2) Uani 0.605(6) 1 d D U P A 1
H54A H 1.1325 0.3694 0.7495 0.123 Uiso 0.605(6) 1 calc R U P A 1
H54B H 1.0352 0.3762 0.7700 0.123 Uiso 0.605(6) 1 calc R U P A 1
H54C H 1.0702 0.3210 0.7531 0.123 Uiso 0.605(6) 1 calc R U P A 1
C55 C 1.0201(6) 0.4168(3) 0.6002(6) 0.088(2) Uani 0.605(6) 1 d D U P A 1
H55A H 0.9877 0.4203 0.5316 0.132 Uiso 0.605(6) 1 calc R U P A 1
H55B H 0.9886 0.4375 0.6355 0.132 Uiso 0.605(6) 1 calc R U P A 1
H55C H 1.0851 0.4280 0.6148 0.132 Uiso 0.605(6) 1 calc R U P A 1
C56 C 1.0717(6) 0.3313(3) 0.5753(6) 0.087(2) Uani 0.605(6) 1 d D U P A 1
H56A H 1.0399 0.3342 0.5066 0.131 Uiso 0.605(6) 1 calc R U P A 1
H56B H 1.1356 0.3444 0.5908 0.131 Uiso 0.605(6) 1 calc R U P A 1
H56C H 1.0738 0.2957 0.5942 0.131 Uiso 0.605(6) 1 calc R U P A 1
C54A C 1.0302(9) 0.4033(4) 0.7034(7) 0.084(3) Uani 0.395(6) 1 d D U P A 2
H54D H 1.0188 0.3894 0.7600 0.125 Uiso 0.395(6) 1 calc R U P A 2
H54E H 1.0940 0.4168 0.7211 0.125 Uiso 0.395(6) 1 calc R U P A 2
H54F H 0.9854 0.4306 0.6768 0.125 Uiso 0.395(6) 1 calc R U P A 2
C55A C 1.0365(9) 0.3843(5) 0.5426(7) 0.081(3) Uani 0.395(6) 1 d D U P A 2
H55D H 1.1011 0.3966 0.5605 0.121 Uiso 0.395(6) 1 calc R U P A 2
H55E H 1.0267 0.3585 0.4928 0.121 Uiso 0.395(6) 1 calc R U P A 2
H55F H 0.9934 0.4126 0.5184 0.121 Uiso 0.395(6) 1 calc R U P A 2
C56A C 1.0924(8) 0.3216(4) 0.6715(8) 0.088(3) Uani 0.395(6) 1 d D U P A 2
H56D H 1.0815 0.3066 0.7276 0.132 Uiso 0.395(6) 1 calc R U P A 2
H56E H 1.0888 0.2952 0.6240 0.132 Uiso 0.395(6) 1 calc R U P A 2
H56F H 1.1546 0.3372 0.6904 0.132 Uiso 0.395(6) 1 calc R U P A 2
C57 C 0.7306(3) 0.25776(18) 0.3320(3) 0.0541(12) Uani 1 1 d . . . . .
C58 C 0.8269(3) 0.25257(19) 0.3457(4) 0.0574(13) Uani 1 1 d . . . . .
C59 C 0.8656(4) 0.20420(19) 0.3531(3) 0.0586(13) Uani 1 1 d . . . . .
H59A H 0.9309 0.2009 0.3637 0.070 Uiso 1 1 calc R U . . .
C60 C 0.8124(4) 0.16083(18) 0.3456(4) 0.0567(13) Uani 1 1 d . . . . .
C61 C 0.7170(4) 0.1671(2) 0.3294(3) 0.0587(13) Uani 1 1 d . . . . .
H61A H 0.6790 0.1377 0.3220 0.070 Uiso 1 1 calc R U . . .
C62 C 0.6749(4) 0.21400(18) 0.3236(3) 0.0544(12) Uani 1 1 d . . . . .
C63 C 0.8847(4) 0.2986(2) 0.3511(4) 0.0724(15) Uani 1 1 d . . . . .
H63A H 0.8452 0.3287 0.3445 0.109 Uiso 1 1 calc R U . . .
H63B H 0.9345 0.2995 0.4127 0.109 Uiso 1 1 calc R U . . .
H63C H 0.9124 0.2979 0.2995 0.109 Uiso 1 1 calc R U . . .
C64 C 0.8565(4) 0.1095(2) 0.3524(4) 0.0733(16) Uani 1 1 d . . . . .
H64A H 0.8087 0.0834 0.3456 0.110 Uiso 1 1 calc R U . . .
H64B H 0.8847 0.1057 0.3015 0.110 Uiso 1 1 calc R U . . .
H64C H 0.9051 0.1059 0.4145 0.110 Uiso 1 1 calc R U . . .
C65 C 0.5710(4) 0.2176(2) 0.3070(4) 0.0635(14) Uani 1 1 d . . . . .
H65A H 0.5526 0.2532 0.3047 0.095 Uiso 1 1 calc R U . . .
H65B H 0.5371 0.2012 0.2463 0.095 Uiso 1 1 calc R U . . .
H65C H 0.5558 0.2006 0.3591 0.095 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 0.0137 0.0067 '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 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 '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
N1 Ge1 C1 118.72(19) . . ?
N1 Ge1 Cl1 131.56(15) . . ?
C1 Ge1 Cl1 109.21(13) . . ?
C57 N1 Ge1 144.8(4) . . ?
C2 C1 C6 117.5(4) . . ?
C2 C1 Ge1 123.5(3) . . ?
C6 C1 Ge1 118.9(3) . . ?
C3 C2 C1 120.6(4) . . ?
C3 C2 C15 110.9(4) . . ?
C1 C2 C15 128.4(4) . . ?
C2 C3 C4 121.6(4) . . ?
C2 C3 C8 112.4(4) . . ?
C4 C3 C8 126.0(4) . . ?
C5 C4 C3 118.9(4) . . ?
C5 C4 H4A 120.5 . . ?
C3 C4 H4A 120.5 . . ?
C4 C5 C6 120.7(4) . . ?
C4 C5 C12 126.9(4) . . ?
C6 C5 C12 112.4(4) . . ?
C5 C6 C1 120.7(4) . . ?
C5 C6 C36 110.5(4) . . ?
C1 C6 C36 128.8(4) . . ?
C8 C7 C15 109.2(3) . . ?
C8 C7 H7A 109.8 . . ?
C15 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
C15 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 C3 103.5(3) . . ?
C7 C8 C9 111.3(4) . . ?
C3 C8 C9 111.5(4) . . ?
C7 C8 C10 111.5(4) . . ?
C3 C8 C10 109.8(4) . . ?
C9 C8 C10 109.2(5) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C36 108.6(3) . . ?
C12 C11 H11A 110.0 . . ?
C36 C11 H11A 110.0 . . ?
C12 C11 H11B 110.0 . . ?
C36 C11 H11B 110.0 . . ?
H11A C11 H11B 108.3 . . ?
C5 C12 C11 102.2(3) . . ?
C5 C12 C13 112.2(3) . . ?
C11 C12 C13 110.5(3) . . ?
C5 C12 C14 111.0(3) . . ?
C11 C12 C14 113.7(4) . . ?
C13 C12 C14 107.2(4) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 C15 C27 115.9(3) . . ?
C2 C15 C16 114.3(3) . . ?
C27 C15 C16 101.0(3) . . ?
C2 C15 C7 103.3(3) . . ?
C27 C15 C7 112.1(3) . . ?
C16 C15 C7 110.4(3) . . ?
C17 C16 C21 121.3(4) . . ?
C17 C16 C15 128.3(4) . . ?
C21 C16 C15 110.3(4) . . ?
C16 C17 C18 120.7(4) . . ?
C16 C17 H17A 119.7 . . ?
C18 C17 H17A 119.7 . . ?
C19 C18 C17 117.4(4) . . ?
C19 C18 C32 121.4(4) . . ?
C17 C18 C32 121.1(5) . . ?
C20 C19 C18 122.5(4) . . ?
C20 C19 H19A 118.7 . . ?
C18 C19 H19A 118.7 . . ?
C19 C20 C21 119.7(5) . . ?
C19 C20 H20A 120.2 . . ?
C21 C20 H20A 120.2 . . ?
C20 C21 C16 118.4(4) . . ?
C20 C21 C22 132.8(4) . . ?
C16 C21 C22 108.7(4) . . ?
C23 C22 C27 118.9(4) . . ?
C23 C22 C21 132.2(4) . . ?
C27 C22 C21 108.9(4) . . ?
C24 C23 C22 119.3(4) . . ?
C24 C23 H23A 120.3 . . ?
C22 C23 H23A 120.3 . . ?
C23 C24 C25 122.2(4) . . ?
C23 C24 H24A 118.9 . . ?
C25 C24 H24A 118.9 . . ?
C26 C25 C24 117.4(4) . . ?
C26 C25 C28 119.8(4) . . ?
C24 C25 C28 122.7(4) . . ?
C27 C26 C25 121.2(4) . . ?
C27 C26 H26A 119.4 . . ?
C25 C26 H26A 119.4 . . ?
C26 C27 C22 121.0(4) . . ?
C26 C27 C15 128.1(4) . . ?
C22 C27 C15 111.0(4) . . ?
C31 C28 C25 113.2(4) . . ?
C31 C28 C30 111.1(5) . . ?
C25 C28 C30 108.1(4) . . ?
C31 C28 C29 106.7(4) . . ?
C25 C28 C29 110.3(4) . . ?
C30 C28 C29 107.3(4) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C18 111.4(4) . . ?
C33 C32 C34 109.2(5) . . ?
C18 C32 C34 108.6(4) . . ?
C33 C32 C35 107.7(5) . . ?
C18 C32 C35 111.3(4) . . ?
C34 C32 C35 108.6(5) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C6 C36 C48 118.6(3) . . ?
C6 C36 C37 115.3(3) . . ?
C48 C36 C37 101.1(3) . . ?
C6 C36 C11 101.7(3) . . ?
C48 C36 C11 108.7(3) . . ?
C37 C36 C11 111.5(3) . . ?
C38 C37 C42 120.6(4) . . ?
C38 C37 C36 129.1(4) . . ?
C42 C37 C36 110.1(4) . . ?
C37 C38 C39 121.1(5) . . ?
C37 C38 H38A 119.5 . . ?
C39 C38 H38A 119.5 . . ?
C40 C39 C38 117.0(5) . . ?
C40 C39 C53 121.3(4) . . ?
C38 C39 C53 121.6(5) . . ?
C39 C40 C41 122.5(5) . . ?
C39 C40 H40A 118.8 . . ?
C41 C40 H40A 118.8 . . ?
C42 C41 C40 118.7(5) . . ?
C42 C41 H41A 120.7 . . ?
C40 C41 H41A 120.7 . . ?
C41 C42 C37 120.1(5) . . ?
C41 C42 C43 130.8(5) . . ?
C37 C42 C43 109.1(4) . . ?
C44 C43 C48 118.9(4) . . ?
C44 C43 C42 132.0(4) . . ?
C48 C43 C42 109.1(4) . . ?
C43 C44 C45 119.3(4) . . ?
C43 C44 H44A 120.3 . . ?
C45 C44 H44A 120.3 . . ?
C46 C45 C44 122.6(4) . . ?
C46 C45 H45A 118.7 . . ?
C44 C45 H45A 118.7 . . ?
C45 C46 C47 117.3(4) . . ?
C45 C46 C49 118.7(4) . . ?
C47 C46 C49 124.0(4) . . ?
C48 C47 C46 120.6(4) . . ?
C48 C47 H47A 119.7 . . ?
C46 C47 H47A 119.7 . . ?
C47 C48 C43 121.1(4) . . ?
C47 C48 C36 129.4(4) . . ?
C43 C48 C36 109.2(4) . . ?
C46 C49 C51 112.7(4) . . ?
C46 C49 C50 109.7(4) . . ?
C51 C49 C50 108.2(5) . . ?
C46 C49 C52 108.9(4) . . ?
C51 C49 C52 107.6(5) . . ?
C50 C49 C52 109.7(4) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C39 109.2(5) . . ?
C55A C53 C39 112.4(6) . . ?
C54 C53 C55 109.1(4) . . ?
C39 C53 C55 111.9(5) . . ?
C55A C53 C56A 108.7(4) . . ?
C39 C53 C56A 113.0(7) . . ?
C54 C53 C56 108.6(4) . . ?
C39 C53 C56 110.4(5) . . ?
C55 C53 C56 107.6(4) . . ?
C55A C53 C54A 108.2(4) . . ?
C39 C53 C54A 106.8(6) . . ?
C56A C53 C54A 107.6(4) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C53 C54A H54D 109.5 . . ?
C53 C54A H54E 109.5 . . ?
H54D C54A H54E 109.5 . . ?
C53 C54A H54F 109.5 . . ?
H54D C54A H54F 109.5 . . ?
H54E C54A H54F 109.5 . . ?
C53 C55A H55D 109.5 . . ?
C53 C55A H55E 109.5 . . ?
H55D C55A H55E 109.5 . . ?
C53 C55A H55F 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C53 C56A H56D 109.5 . . ?
C53 C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
C53 C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
N1 C57 C58 113.6(4) . . ?
N1 C57 C62 127.0(5) . . ?
C58 C57 C62 119.3(4) . . ?
C59 C58 C57 119.2(5) . . ?
C59 C58 C63 121.6(5) . . ?
C57 C58 C63 119.2(5) . . ?
C60 C59 C58 122.4(5) . . ?
C60 C59 H59A 118.8 . . ?
C58 C59 H59A 118.8 . . ?
C59 C60 C61 117.2(5) . . ?
C59 C60 C64 120.7(5) . . ?
C61 C60 C64 122.1(5) . . ?
C62 C61 C60 123.1(5) . . ?
C62 C61 H61A 118.5 . . ?
C60 C61 H61A 118.5 . . ?
C61 C62 C57 118.8(5) . . ?
C61 C62 C65 119.9(5) . . ?
C57 C62 C65 121.4(4) . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64A 109.5 . . ?
C60 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C60 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C62 C65 H65A 109.5 . . ?
C62 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C62 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
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 N1 1.647(4) . ?
Ge1 C1 1.931(4) . ?
Ge1 Cl1 2.2043(12) . ?
N1 C57 1.402(6) . ?
C1 C2 1.414(6) . ?
C1 C6 1.420(6) . ?
C2 C3 1.387(6) . ?
C2 C15 1.522(6) . ?
C3 C4 1.394(6) . ?
C3 C8 1.522(6) . ?
C4 C5 1.386(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.405(6) . ?
C5 C12 1.513(6) . ?
C6 C36 1.521(6) . ?
C7 C8 1.518(6) . ?
C7 C15 1.566(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.526(7) . ?
C8 C10 1.543(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.533(6) . ?
C11 C36 1.566(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.542(6) . ?
C12 C14 1.542(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C27 1.524(6) . ?
C15 C16 1.537(6) . ?
C16 C17 1.371(6) . ?
C16 C21 1.405(6) . ?
C17 C18 1.404(7) . ?
C17 H17A 0.9500 . ?
C18 C19 1.387(7) . ?
C18 C32 1.535(6) . ?
C19 C20 1.383(7) . ?
C19 H19A 0.9500 . ?
C20 C21 1.389(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.458(6) . ?
C22 C23 1.391(6) . ?
C22 C27 1.399(6) . ?
C23 C24 1.386(6) . ?
C23 H23A 0.9500 . ?
C24 C25 1.401(6) . ?
C24 H24A 0.9500 . ?
C25 C26 1.388(6) . ?
C25 C28 1.522(6) . ?
C26 C27 1.375(6) . ?
C26 H26A 0.9500 . ?
C28 C31 1.508(7) . ?
C28 C30 1.527(7) . ?
C28 C29 1.557(7) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.534(8) . ?
C32 C34 1.537(7) . ?
C32 C35 1.538(8) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C48 1.540(6) . ?
C36 C37 1.544(6) . ?
C37 C38 1.378(6) . ?
C37 C42 1.388(6) . ?
C38 C39 1.394(7) . ?
C38 H38A 0.9500 . ?
C39 C40 1.392(7) . ?
C39 C53 1.520(7) . ?
C40 C41 1.399(7) . ?
C40 H40A 0.9500 . ?
C41 C42 1.371(6) . ?
C41 H41A 0.9500 . ?
C42 C43 1.466(6) . ?
C43 C44 1.381(6) . ?
C43 C48 1.407(6) . ?
C44 C45 1.386(7) . ?
C44 H44A 0.9500 . ?
C45 C46 1.384(7) . ?
C45 H45A 0.9500 . ?
C46 C47 1.408(6) . ?
C46 C49 1.521(7) . ?
C47 C48 1.367(6) . ?
C47 H47A 0.9500 . ?
C49 C51 1.542(7) . ?
C49 C50 1.542(8) . ?
C49 C52 1.542(7) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.510(6) . ?
C53 C55A 1.513(6) . ?
C53 C55 1.521(6) . ?
C53 C56A 1.523(6) . ?
C53 C56 1.526(6) . ?
C53 C54A 1.528(6) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C54A H54D 0.9800 . ?
C54A H54E 0.9800 . ?
C54A H54F 0.9800 . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?
C57 C58 1.408(7) . ?
C57 C62 1.413(7) . ?
C58 C59 1.396(7) . ?
C58 C63 1.484(7) . ?
C59 C60 1.384(7) . ?
C59 H59A 0.9500 . ?
C60 C61 1.390(7) . ?
C60 C64 1.502(7) . ?
C61 C62 1.385(7) . ?
C61 H61A 0.9500 . ?
C62 C65 1.510(7) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
