A germanimidoyl chloride: synthesis, characterization and reactivity.
Li, Tong; Zhang, Li; He, Yuhao; Chen, Yizhen; Wang, Dongmin; Liu, Jingjing; Tan, Gengwen; Chemical communications (Cambridge, England) 59 (2023) 1533–1536; doi:10.1039/d2cc05970c

data_7131189
_publ_section_title
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 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            'C117 H124 B F24 Ge N4'
_chemical_formula_weight         2125.59
_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   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                93.952(2)
_cell_angle_beta                 96.523(2)
_cell_angle_gamma                96.935(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8141(5)
_cell_length_b                   19.1127(10)
_cell_length_c                   27.1321(15)
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    138(2)
_cell_measurement_theta_max      53.90
_cell_measurement_theta_min      2.39
_cell_volume                     5511.3(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      138(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            98139
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.989
_diffrn_reflns_theta_min         2.033
_exptl_absorpt_coefficient_mu    0.736
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5379
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_description       block
_exptl_crystal_F_000             2214
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.994
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.0042(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1482
_refine_ls_number_reflns         20104
_refine_ls_number_restraints     409
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0801P)^2^+5.5389P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1466
_refine_ls_wR_factor_ref         0.1512
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17918
_reflns_number_total             20104
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2cc05970c2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7131185--7131189.cif.'
_cod_database_code               7131189
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.867
_shelx_estimated_absorpt_t_max   0.891
_shelx_res_checksum              46561
_shelx_hkl_checksum              93485