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_7703539
_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_sum            'C42 H33 Cl2 N2 O0.7 P Ru S1.3'
_chemical_formula_weight         821.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_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                102.528(2)
_cell_angle_beta                 94.871(2)
_cell_angle_gamma                101.684(2)
_cell_formula_units_Z            2
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_cell_length_b                   13.5323(7)
_cell_length_c                   15.4334(7)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.71
_cell_measurement_theta_min      2.67
_cell_volume                     1960.94(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20135
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.753
_diffrn_reflns_theta_min         2.755
_diffrn_source                   Mo
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_description       niddle
_exptl_crystal_F_000             837
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.668
_refine_diff_density_min         -1.123
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       0.0024(8)
_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   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         7414
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0775
_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^)+(0.0365P)^2^+23.3368P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1964
_refine_ls_wR_factor_ref         0.2033
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6233
_reflns_number_total             7414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00089b2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7703537--7703539.cif.'
_cod_original_formula_sum        'C42 H33 Cl2 N2 O0.70 P Ru S1.30'
_cod_database_code               7703539
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              64439
_shelx_fab_checksum              74610