2,5-Bis-trimethylsilyl substituted boroles.
Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2706–2714; doi:10.1039/d0dt00393j

data_7703470
_publ_section_title
;
 2,5-Bis-trimethylsilyl substituted boroles.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2706
_journal_page_last               2714
_journal_paper_doi               10.1039/d0dt00393j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C38 H60 B Cl Si2'
_chemical_formula_sum            'C38 H60 B Cl Si2'
_chemical_formula_weight         619.30
_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Hygroscopic
_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-2018/3
_audit_update_record
;
2020-01-10 deposited with the CCDC.	2020-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.1270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   26.4693(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.3975
_cell_measurement_theta_min      2.2505
_cell_volume                     3824.5(2)
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_max       16
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_diffrn_reflns_limit_l_max       34
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_diffrn_reflns_number            92892
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         21.727
_diffrn_reflns_theta_min         1.230
_diffrn_source                   'INCOATEC Microsource'
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  0.7447
_exptl_absorpt_correction_T_min  0.7025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.076
_exptl_crystal_description       prism
_exptl_crystal_F_000             1352
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: pentane'
_exptl_crystal_size_max          0.403
_exptl_crystal_size_mid          0.241
_exptl_crystal_size_min          0.147
_refine_diff_density_max         0.420
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         9164
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+2.6489P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1071
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7486
_reflns_number_total             9164
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00393j2.cif
_cod_data_source_block           sad_a_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7703465--7703474.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7703470
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.960
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              82559