Cyclometalated luminescent platinum(II) complexes of dissymmetrical 2,2':4',2''-terpyridine and its self-assembled dimer presenting Pt-Ag dative bonds.
Benda, Lorien; Miton, Louise; Hadj Seyd, Nihal; Chamoreau, Lise-Marie; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Hasenknopf, Bernold; Marvaud, Valérie; Vives, Guillaume; Dalton transactions (Cambridge, England : 2003) 53 (2024) 12477–12485; doi:10.1039/d4dt01153h

data_7716408
_publ_section_title
;
 Cyclometalated luminescent platinum(II) complexes of dissymmetrical
 2,2':4',2''-terpyridine and its self-assembled dimer presenting Pt-Ag
 dative bonds.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12477
_journal_page_last               12485
_journal_paper_doi               10.1039/d4dt01153h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C19 H18 Cl N3 Pt, C2 H3 N'
_chemical_formula_sum            'C21 H21 Cl N4 Pt'
_chemical_formula_weight         559.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-03-11 deposited with the CCDC.	2024-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.728(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.6144(9)
_cell_length_b                   6.7077(4)
_cell_length_c                   12.6960(8)
_cell_measurement_reflns_used    8270
_cell_measurement_temperature    200(1)
_cell_measurement_theta_max      30.45
_cell_measurement_theta_min      2.70
_cell_volume                     1028.79(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      200(1)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0751
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29225
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.558
_diffrn_reflns_theta_min         2.697
_exptl_absorpt_coefficient_mu    6.962
_exptl_absorpt_correction_T_max  0.433
_exptl_absorpt_correction_T_min  0.204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 Sheldrick, G. M. (2012). TWINABS 2012/1. Bruker, Madison, Wisconsin, USA.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         5.350
_refine_diff_density_min         -3.754
_refine_diff_density_rms         0.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     161
_refine_ls_number_reflns         29225
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0558
_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^)+8.1085P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                24485
_reflns_number_total             29225
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01153h2.cif
_cod_data_source_block           bl279-2
_cod_depositor_comments
'Adding full bibliography for 7716407--7716408.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7716408
_shelx_shelxl_version_number     2019/3
_shelx_res_checksum              44733
_shelx_hkl_checksum              90874