Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.
Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink; Inorganic Chemistry 51 (2012) 3427–3435; doi:10.1021/ic201910t

data_4328621
_publ_section_title
;
 Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex:
 Synthesis, Structure, Luminescence Studies, and Reactivity.
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3427
_journal_page_last               3435
_journal_paper_doi               10.1021/ic201910t
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C43 H30 N4 O Pt2 S4'
_chemical_formula_weight         1137.13
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.613(2)
_cell_angle_beta                 73.393(2)
_cell_angle_gamma                71.687(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1819(3)
_cell_length_b                   11.7099(3)
_cell_length_c                   15.5443(4)
_cell_measurement_reflns_used    17792
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      28.7466
_cell_measurement_theta_min      3.7456
_cell_volume                     1851.65(9)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.853
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_details
;
  1 omega  -92.00  -40.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -45.0000  300.0000    0.0000    0.0000 52
  2 omega  -92.00  -40.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -45.0000  210.0000    0.0000    0.0000 52
  3 omega  -92.00  -40.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -45.0000  270.0000    0.0000    0.0000 52
  4 omega  -92.00  -37.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -77.0000   90.0000    0.0000    0.0000 55
  5 omega  -53.00    2.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053   77.0000  210.0000    0.0000    0.0000 55
  6 omega  -41.00   13.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053  -77.0000  270.0000    0.0000    0.0000 54
  7 omega   -2.00   49.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.2271  -45.0000    0.0000    0.0000    0.0000 51
  8 omega   -2.00   49.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       22.2271  -45.0000  120.0000    0.0000    0.0000 51
  9 omega  -95.00   55.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053    0.0000   90.0000    0.0000    0.0000 150
 10 omega  -95.00   55.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053    0.0000  270.0000    0.0000    0.0000 150
 11 omega  -95.00  -20.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -19.8053    0.0000   60.0000    0.0000    0.0000 75
;
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
_diffrn_measurement_method       omega
_diffrn_orient_matrix_UB_11      0.0459110003
_diffrn_orient_matrix_UB_12      -0.0061415456
_diffrn_orient_matrix_UB_13      -0.0428136250
_diffrn_orient_matrix_UB_21      0.0134932409
_diffrn_orient_matrix_UB_22      -0.0633197057
_diffrn_orient_matrix_UB_23      0.0031553240
_diffrn_orient_matrix_UB_31      -0.0502467451
_diffrn_orient_matrix_UB_32      0.0038837164
_diffrn_orient_matrix_UB_33      -0.0205146904
_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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27557
_diffrn_reflns_theta_full        28.89
_diffrn_reflns_theta_max         28.89
_diffrn_reflns_theta_min         3.76
_exptl_absorpt_coefficient_mu    7.815
_exptl_absorpt_correction_T_max  0.2907
_exptl_absorpt_correction_T_min  0.1419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.040
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.925
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         8308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0210P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0413
_refine_ls_wR_factor_ref         0.0424
_reflns_number_gt                7010
_reflns_number_total             8308
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201910t_si_002_1.cif
_cod_data_source_block           amt519
_cod_original_cell_volume        1851.65(8)
_cod_database_code               4328621