Stabilization of dichalcogenide ligands in the coordination sphere of a ruthenium system.
Saha, Koushik; Gayen, Sourav; Kaur, Urminder; Roisnel, Thierry; Ghosh, Sundargopal; Dalton transactions (Cambridge, England : 2003) 50 (2021) 12990–13001; doi:10.1039/d1dt01614h

data_7707978
_publ_section_title
;
 Stabilization of dichalcogenide ligands in the coordination sphere of a
 ruthenium system.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12990
_journal_page_last               13001
_journal_paper_doi               10.1039/d1dt01614h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety
'0.619(C20 H32 B2 S7 Ru2) + 0.381(C20 H32 B2 S6 Ru2)'
_chemical_formula_sum            'C20 H32 B2 Ru2 S6.62'
_chemical_formula_weight         708.45
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-29 deposited with the CCDC.	2021-08-06 downloaded from the CCDC.
;
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_cell_measurement_theta_max      24.8
_cell_measurement_theta_min      2.8
_cell_volume                     2615.2(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
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_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'Bruker Axs Kappa Apex2 CCD Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        25.242
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_diffrn_source                   'Sealed tube'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            red
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_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.580
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_refine_diff_density_max         0.525
_refine_diff_density_min         -0.504
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_refine_ls_extinction_coef       0.00178(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.286
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.282
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0328
_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^)+9.2514P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0802
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4742
_reflns_number_total             5113
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01614h2.cif
_cod_data_source_block           sgguk3
_cod_depositor_comments
'Adding full bibliography for 7707977--7707979.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7707978
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.440
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_shelx_res_checksum              41874
_shelx_hkl_checksum              74263