Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.
Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François; Chemical communications (Cambridge, England) 57 (2021) 1038–1041; doi:10.1039/d0cc07307e

data_7127621
_publ_section_title
;
 Access to functionalized luminescent Pt(ii) complexes by
 photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1038
_journal_page_last               1041
_journal_paper_doi               10.1039/d0cc07307e
_journal_volume                  57
_journal_year                    2021
_chemical_absolute_configuration rm/ad/rmad/syn/unk/.
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C35 H47 Cl N2 O Pt'
_chemical_formula_sum            'C35 H47 Cl N2 O Pt'
_chemical_formula_weight         742.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-04-23 deposited with the CCDC.	2020-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.735(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8560(12)
_cell_length_b                   31.710(4)
_cell_length_c                   12.7673(15)
_cell_measurement_reflns_used    9817
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.4052
_cell_measurement_theta_min      2.3980
_cell_measurement_wavelength     0.710730
_cell_volume                     3567.4(8)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
_computing_publication_material
'CRYSCALC (T. Roisnel, local program, ver. 2020)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.1069790
_diffrn_orient_matrix_UB_12      0.0284381
_diffrn_orient_matrix_UB_13      0.0062126
_diffrn_orient_matrix_UB_21      -0.0184732
_diffrn_orient_matrix_UB_22      0.0683196
_diffrn_orient_matrix_UB_23      -0.0135097
_diffrn_orient_matrix_UB_31      -0.0330660
_diffrn_orient_matrix_UB_32      0.0268406
_diffrn_orient_matrix_UB_33      0.0278103
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_unetI/netI     0.0797
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30907
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.408
_diffrn_reflns_theta_min         2.054
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    4.034
_exptl_absorpt_correction_T_max  0.785
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_description       needle
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.568
_refine_diff_density_min         -4.336
_refine_diff_density_rms         0.177
_refine_ls_abs_structure_details
;
Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.063(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         15784
_refine_ls_number_restraints     109
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0478
_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^)+(0.0281P)^2^+32.8120P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1222
_reflns_Friedel_coverage         0.918
_reflns_Friedel_fraction_full    0.962
_reflns_Friedel_fraction_max     0.947
_reflns_number_gt                14031
_reflns_number_total             15784
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc07307e2.cif
_cod_data_source_block           JFS396F1
_cod_depositor_comments
'Adding full bibliography for 7127620--7127626.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7127621
_shelx_res_checksum              26444
_shelx_hkl_checksum              47895
_shelx_fab_checksum              21673