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_7127624
_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_compound_source        'synthesis as described'
_chemical_formula_moiety         'C30 H37 Cl N2 O2 Pt'
_chemical_formula_sum            'C30 H37 Cl N2 O2 Pt'
_chemical_formula_weight         688.15
_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   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-02-12 deposited with the CCDC.	2020-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.022(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7019(7)
_cell_length_b                   19.1155(15)
_cell_length_c                   14.6419(11)
_cell_measurement_reflns_used    9516
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.6980
_cell_measurement_theta_min      2.5467
_cell_measurement_wavelength     0.71073
_cell_volume                     2708.8(4)
_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, 2019)'
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.0272055
_diffrn_orient_matrix_UB_12      -0.0043428
_diffrn_orient_matrix_UB_13      0.0669072
_diffrn_orient_matrix_UB_21      -0.0025058
_diffrn_orient_matrix_UB_22      0.0520732
_diffrn_orient_matrix_UB_23      0.0062091
_diffrn_orient_matrix_UB_31      -0.0996494
_diffrn_orient_matrix_UB_32      -0.0024951
_diffrn_orient_matrix_UB_33      0.0131307
_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  0.0401
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29132
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.986
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    5.309
_exptl_absorpt_correction_T_max  0.690
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_description       stick
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.670
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_refine_diff_density_max         4.583
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0295
_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^)+(0.0284P)^2^+16.2706P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0750
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5251
_reflns_number_total             6197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc07307e2.cif
_cod_data_source_block           WH215
_cod_depositor_comments
'Adding full bibliography for 7127620--7127626.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127624
_shelx_res_checksum              11917
_shelx_hkl_checksum              35603