Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.
Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 6178–6183; doi:10.1039/d3dt03843b

data_7715503
_publ_section_title
;
 Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic
 silane.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6178
_journal_page_last               6183
_journal_paper_doi               10.1039/d3dt03843b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C67 H86 B2 Br6 N4 S3 Si'
_chemical_formula_weight         1572.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2023-09-12 deposited with the CCDC.	2024-03-20 downloaded from the CCDC.
;
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_cell_measurement_temperature    135(2)
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_cell_volume                     3610.1(5)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      135(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 Quest PHOTON 100 CMOS'
_diffrn_measurement_method       'Omega/phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_limit_l_min       -33
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_diffrn_source                   Imus
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_exptl_absorpt_correction_T_max  0.7470
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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_refine_ls_number_restraints     514
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0984
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+0.8911P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.1072
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18897
_reflns_number_total             30247
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03843b2.cif
_cod_data_source_block           j1_a
_cod_depositor_comments
'Adding full bibliography for 7715503--7715508.cif.'
_cod_database_code               7715503
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.422
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