An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.
Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Inorganic chemistry 54 (2015) 4351–4363; doi:10.1021/acs.inorgchem.5b00083

data_4342769
_publ_section_title
;
 An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I),
 Pb(II)) Bonds: Contrasting Photophysical Behavior.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4351
_journal_page_last               4363
_journal_paper_doi               10.1021/acs.inorgchem.5b00083
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C62 H41 F20 N2 O3 Pt2 Tl2'
_chemical_formula_weight         2040.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.3263(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.54776(17)
_cell_length_b                   22.9750(2)
_cell_length_c                   20.6916(2)
_cell_measurement_reflns_used    36861
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8691
_cell_measurement_theta_min      3.7291
_cell_volume                     6113.81(12)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
  1 omega   59.00   97.00   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.2271  179.0000   90.0000 95

  2 omega  -23.00   85.80   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.2271    0.0000   90.0000 272

  3 omega    6.00   96.00   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.2271   37.0000  120.0000 225

  4 omega -102.00  -32.00   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.8053  179.0000  120.0000 175

  5 omega -102.00  -32.00   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.8053  179.0000    0.0000 175

  6 omega  -10.00   96.00   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.2271   37.0000  300.0000 265

  7 omega  -52.00   60.80   0.4000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.2271  -30.0000  290.0000 282

;
_diffrn_measurement_device_type
'Goniometer KM4/Xcalibur, detector: Sapphire3'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      0.0319230005
_diffrn_orient_matrix_UB_12      0.0118242741
_diffrn_orient_matrix_UB_13      -0.0181088915
_diffrn_orient_matrix_UB_21      -0.0419065077
_diffrn_orient_matrix_UB_22      -0.0022958316
_diffrn_orient_matrix_UB_23      -0.0308298596
_diffrn_orient_matrix_UB_31      -0.0167467471
_diffrn_orient_matrix_UB_32      0.0284143271
_diffrn_orient_matrix_UB_33      0.0050530644
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            63265
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.25
_diffrn_reflns_theta_min         3.78
_exptl_absorpt_coefficient_mu    9.925
_exptl_absorpt_correction_T_max  0.2832
_exptl_absorpt_correction_T_min  0.1061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3796
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.17
_refine_diff_density_max         4.579
_refine_diff_density_min         -4.869
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     859
_refine_ls_number_reflns         12298
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0442P)^2^+15.5123P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                10319
_reflns_number_total             12298
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00083_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4342769--4342773.cif.'
_cod_original_cell_volume        6113.82(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4342769