Reactivity of an NHC-stabilized pyramidal hydrosilylene with electrophilic boron sources.
Dübek, Gizem; Franz, Daniel; Eisenhut, Carsten; Altmann, Philipp J.; Inoue, Shigeyoshi; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5756–5765; doi:10.1039/c9dt00608g

data_7049573
_publ_section_title
;
 Reactivity of an NHC-stabilized pyramidal hydrosilylene with
 electrophilic boron sources.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5756
_journal_page_last               5765
_journal_paper_doi               10.1039/c9dt00608g
_journal_volume                  48
_journal_year                    2019
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C25 H45 B Br2 N2 Si2'
_chemical_formula_sum            'C25 H45 B Br2 N2 Si2'
_chemical_formula_weight         600.42
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2019-02-09 deposited with the CCDC.    2019-04-03 downloaded from the CCDC.
;
_cell_angle_alpha                85.276(2)
_cell_angle_beta                 89.604(2)
_cell_angle_gamma                63.638(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6853(5)
_cell_length_b                   9.0560(5)
_cell_length_c                   20.7220(12)
_cell_measurement_reflns_used    9862
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.7602
_cell_measurement_theta_min      2.5200
_cell_volume                     1454.61(15)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       ' \k-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0150
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            61899
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.79
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    2.885
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.643
_exptl_crystal_size_mid          0.375
_exptl_crystal_size_min          0.292
_refine_diff_density_max         2.222
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5567
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[\S^2^(FO^2^)+(0.0314P)^2^+4.2060P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0945
_reflns_number_gt                5319
_reflns_number_total             5567
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c9dt00608g2.cif
_cod_data_source_block           mo_dubgi9_0m_a
_cod_depositor_comments
'Adding full bibliography for 7049570--7049573.cif.'
_cod_database_code               7049573
_shelx_res_checksum              93142