Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).
Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi; Journal of the American Chemical Society 137 (2015) 11935–11937; doi:10.1021/jacs.5b08169

data_4124458
_publ_section_title
;
 Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).
;
_journal_issue                   37
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11935
_journal_page_last               11937
_journal_paper_doi               10.1021/jacs.5b08169
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         '(C40 H53 Ge N2 O3 W), (C32 H12 B F24)'
_chemical_formula_sum            'C72 H65 B F24 Ge N2 O3 W'
_chemical_formula_weight         1729.51
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.5350(5)
_cell_angle_beta                 91.7439(8)
_cell_angle_gamma                102.0101(6)
_cell_formula_units_Z            4
_cell_length_a                   14.9150(4)
_cell_length_b                   18.5815(5)
_cell_length_c                   27.6450(5)
_cell_measurement_reflns_used    78930
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.4
_cell_volume                     7433.7(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver.1.11'
_computing_molecular_graphics    'Yadokari-XG 2009'
_computing_publication_material  'Yadokari-XG 2009'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0786
_diffrn_reflns_av_sigmaI/netI    0.0733
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            80490
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         0.74
_exptl_absorpt_coefficient_mu    2.057
_exptl_absorpt_correction_T_max  0.7616
_exptl_absorpt_correction_T_min  0.6273
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3448
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
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_refine_diff_density_max         2.331
_refine_diff_density_min         -1.876
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1907
_refine_ls_number_reflns         33715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0728
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0748P)^2^+26.8309P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1612
_refine_ls_wR_factor_ref         0.1756
_reflns_number_gt                26367
_reflns_number_total             33715
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b08169_si_001.cif
_cod_data_source_block           complex3
_cod_depositor_comments
'Adding full bibliography for 4124458--4124459.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4124458