Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion
Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars; Chemical Science 16 (2025) 7759–7765; doi:10.1039/D5SC00881F

data_1574266
_publ_section_title
;
 Boradigermaallyl: inhibition of CH bond activation by borane CO adduct
 formation followed by CO insertion
;
_journal_issue                   18
_journal_name_full               'Chemical Science'
_journal_page_first              7759
_journal_page_last               7765
_journal_paper_doi               10.1039/D5SC00881F
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C114.5 H150 B Cl Ge2 O2'
_chemical_formula_weight         1749.78
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-01-20 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   28.4018(16)
_cell_measurement_reflns_used    9595
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.29
_cell_measurement_theta_min      2.50
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_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
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_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -38
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         30.533
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_exptl_absorpt_coefficient_mu    0.678
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_description       prism
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         30530
_refine_ls_number_restraints     960
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0578
_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/[\s^2^(Fo^2^)+(0.0509P)^2^+10.4043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1315
_reflns_Friedel_coverage         0.000
_reflns_number_gt                25154
_reflns_number_total             30530
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc00881f2.cif
_cod_data_source_block           RK358_0m_a
_cod_depositor_comments
'Adding full bibliography for 1574261--1574268.cif.'
_cod_original_cell_volume        9977.6(10)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'C114.50 H150 B Cl Ge2 O2'
_cod_database_code               1574266
_shelx_shelxl_version_number     2019/3
_shelx_res_checksum              14378