New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.
Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich; Inorganic chemistry 55 (2016) 6186–6194; doi:10.1021/acs.inorgchem.6b00821

data_4347977
_publ_section_title
;
 New Selective Synthesis of Dithiaboroles as a Viable Pathway to
 Functionalized Benzenedithiolenes and Their Complexes.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6186
_journal_page_last               6194
_journal_paper_doi               10.1021/acs.inorgchem.6b00821
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C38 H30 Co O2 P2 S4, C8 H20 N'
_chemical_formula_sum            'C46 H50 Co N O2 P2 S4'
_chemical_formula_weight         897.98
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_cell_angle_alpha                90
_cell_angle_beta                 111.050(3)
_cell_angle_gamma                90
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_cell_length_b                   11.1257(14)
_cell_length_c                   16.921(2)
_cell_measurement_reflns_used    3023
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.037
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_computing_cell_refinement       'Bruker ApexII Software Suite, 2008'
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_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker Kappa ApexII Duo'
_diffrn_measurement_method       'Omega and phi scans'
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_exptl_absorpt_correction_T_max  0.7454
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_exptl_absorpt_process_details   'BLESSING 1995'
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0277P)^2^+12.3206P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.703
_shelx_estimated_absorpt_t_max   0.932
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