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_7715732
_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_sum            'C24 H16 F5 N2 O Pt Tl'
_chemical_formula_weight         842.85
_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             2022-05-25T18:40:49-00:00
_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                74.76(3)
_cell_angle_beta                 88.11(3)
_cell_angle_gamma                76.40(3)
_cell_formula_units_Z            4
_cell_length_a                   11.887(2)
_cell_length_b                   13.521(3)
_cell_length_c                   14.790(3)
_cell_measurement_reflns_used    10673
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.927
_cell_measurement_theta_min      2.235
_cell_measurement_wavelength     0.71073
_cell_volume                     2228.2(9)
_computing_cell_refinement       'SAINT 2008/4 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 0.997
_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      0.031395
_diffrn_orient_matrix_UB_12      0.037537
_diffrn_orient_matrix_UB_13      -0.059324
_diffrn_orient_matrix_UB_21      -0.059393
_diffrn_orient_matrix_UB_22      0.066113
_diffrn_orient_matrix_UB_23      -0.00013
_diffrn_orient_matrix_UB_31      0.054637
_diffrn_orient_matrix_UB_32      0.020956
_diffrn_orient_matrix_UB_33      0.037367
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            126056
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.927
_diffrn_reflns_theta_min         2.235
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.557
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.241
_exptl_crystal_size_mid          0.058
_exptl_crystal_size_min          0.034
_refine_diff_density_max         1.446
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     613
_refine_ls_number_reflns         10673
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0020P)^2^+4.6958P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0296
_refine_ls_wR_factor_ref         0.0311
_reflns_Friedel_coverage         0
_reflns_number_gt                9443
_reflns_number_total             10673
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00674g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7715732--7715733.cif.'
_cod_original_cell_volume        2228.1(9)
_cod_database_code               7715732