Ladder-like heteropolynuclear assemblies <i>via</i> cyanido bridges and platinum(II)-thallium(I) bonds: structural and photophysical properties.
Sadeghian, Mina; Gómez de Segura, David; Golbon Haghighi, Mohsen; Safari, Nasser; Lalinde, Elena; Moreno, M. Teresa; Dalton transactions (Cambridge, England : 2003) 53 (2024) 7788–7800; doi:10.1039/d4dt00674g

data_7715733
_publ_section_title
;
 Ladder-like heteropolynuclear assemblies <i>via</i> cyanido bridges and
 platinum(II)-thallium(I) bonds: structural and photophysical properties.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7788
_journal_page_last               7800
_journal_paper_doi               10.1039/d4dt00674g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C38 H16 F14 N4 O0.61 Pt2 Tl2'
_chemical_formula_sum            'C76 H32 F28 N8 O1.22 Pt4 Tl4'
_chemical_formula_weight         3206.45
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2022-05-25T18:32:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-03-05 deposited with the CCDC.	2024-04-10 downloaded from the CCDC.
;
_cell_angle_alpha                101.227(2)
_cell_angle_beta                 101.332(3)
_cell_angle_gamma                98.078(3)
_cell_formula_units_Z            1
_cell_length_a                   12.0740(8)
_cell_length_b                   12.6188(9)
_cell_length_c                   12.9418(9)
_cell_measurement_reflns_used    9693
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.66
_cell_measurement_wavelength     0.71076
_cell_volume                     1863.3(2)
_computing_cell_refinement       'SAINT V8.40A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       '\f or \w oscillation scans'
_diffrn_orient_matrix_UB_11      0.042436
_diffrn_orient_matrix_UB_12      0.077645
_diffrn_orient_matrix_UB_13      0.017931
_diffrn_orient_matrix_UB_21      0.046058
_diffrn_orient_matrix_UB_22      -0.020668
_diffrn_orient_matrix_UB_23      -0.0546
_diffrn_orient_matrix_UB_31      -0.058892
_diffrn_orient_matrix_UB_32      0.017473
_diffrn_orient_matrix_UB_33      -0.057021
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            99409
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.606
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.215
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1442
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.179
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0092P)^2^+7.5301P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0461
_refine_ls_wR_factor_ref         0.0469
_reflns_Friedel_coverage         0
_reflns_number_gt                7140
_reflns_number_total             7619
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00674g2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7715732--7715733.cif.'
_cod_database_code               7715733
_shelx_estimated_absorpt_t_min   0.095
_shelx_estimated_absorpt_t_max   0.498