The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.
Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor; Dalton transactions (Cambridge, England : 2003) 52 (2022) 218–227; doi:10.1039/d2dt03564b

data_7711865
_publ_section_title
;
 The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer
 compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic
 compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal
 Sb-H bonds.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              218
_journal_page_last               227
_journal_paper_doi               10.1039/d2dt03564b
_journal_volume                  52
_journal_year                    2022
_chemical_formula_moiety         'C36 H50 Bi N2 Si, C F3 O3 S'
_chemical_formula_sum            'C37 H50 Bi F3 N2 O3 S Si'
_chemical_formula_weight         896.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'APEX3 v2016.5-0'
_audit_update_record
;
2022-08-26 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.234(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8907(7)
_cell_length_b                   13.5122(5)
_cell_length_c                   21.3741(9)
_cell_measurement_reflns_used    94085
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      1
_cell_volume                     4008.7(3)
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1470
_diffrn_reflns_av_unetI/netI     0.0581
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            85620
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.499
_diffrn_reflns_theta_min         2.286
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.529
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3339
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_description       block
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.594
_exptl_crystal_size_mid          0.272
_exptl_crystal_size_min          0.153
_refine_diff_density_max         1.095
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         8304
_refine_ls_number_restraints     411
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0136P)^2^+9.6227P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0674
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6387
_reflns_number_total             8304
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt03564b2.cif
_cod_data_source_block           2-Bi
_cod_depositor_comments
'Adding full bibliography for 7711860--7711865.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7711865
_shelx_shelxl_version_number     2014/7
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.950
;
_shelx_res_checksum              4085
_shelx_hkl_checksum              98520