Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.
Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta; Dalton transactions (Cambridge, England : 2003) 49 (2020) 5015–5019; doi:10.1039/d0dt00089b

data_7703537
_publ_section_title
;
 Metal promoted conversion of aromatic amines to ortho-phenylenediimine
 derivatives by a radical coupling path.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5015
_journal_page_last               5019
_journal_paper_doi               10.1039/d0dt00089b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C42 H33 Cl2 N2 P Ru S2'
_chemical_formula_sum            'C42 H33 Cl2 N2 P Ru S2'
_chemical_formula_weight         832.76
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-03 deposited with the CCDC.	2020-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                102.105(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0363
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker AXS Inc. 2007)'
_exptl_crystal_colour            black
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_refine_ls_extinction_coef       0.0099(6)
_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)'
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0380
_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^)+3.9629P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0936
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8642
_reflns_number_total             9801
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00089b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7703537--7703539.cif.'
_cod_database_code               7703537
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              89538
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