Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes
Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia; Inorganica Chimica Acta 424 (2015) 136–149; doi:

data_1518809
_publ_section_title
;
 Neutral benzoquinolate cyclometalated platinum(II) complexes as
 precursors in the preparation of luminescent Pt-Ag complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              136
_journal_page_last               149
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C31 H24 F5 N2 Pt'
_chemical_formula_weight         714.61
_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
_cell_angle_alpha                69.009(4)
_cell_angle_beta                 74.847(4)
_cell_angle_gamma                87.969(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4782(4)
_cell_length_b                   12.1683(5)
_cell_length_c                   13.8379(6)
_cell_measurement_reflns_used    5792
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.7423
_cell_measurement_theta_min      4.2293
_cell_volume                     1283.82(11)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_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 0.995
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_details
;
  1 omega   -1.00   50.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   57.0000  -30.0000 51

  2 omega   -2.00   28.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       22.1490   77.0000   60.0000 30

  3 omega   31.00   93.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       22.1490   57.0000 -150.0000 62

  4 omega  -24.00   63.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       22.1490  -99.0000  150.0000 87

  5 omega  -47.00   23.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       22.1490  -57.0000   60.0000 70

  6 omega  -24.00   67.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       22.1490  -99.0000  -60.0000 91

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      -0.0211145531
_diffrn_orient_matrix_UB_12      0.0023253867
_diffrn_orient_matrix_UB_13      0.0522444576
_diffrn_orient_matrix_UB_21      -0.0839184758
_diffrn_orient_matrix_UB_22      0.0002262987
_diffrn_orient_matrix_UB_23      0.0007483704
_diffrn_orient_matrix_UB_31      -0.0067117154
_diffrn_orient_matrix_UB_32      -0.0624584991
_diffrn_orient_matrix_UB_33      0.0226062941
_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  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0683
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9354
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.80
_diffrn_reflns_theta_min         4.24
_exptl_absorpt_coefficient_mu    5.525
_exptl_absorpt_correction_T_max  0.5569
_exptl_absorpt_correction_T_min  0.2629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             694
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.911
_refine_diff_density_min         -1.402
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         5783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0316
_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^)+(0.0160P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0563
_reflns_number_gt                4852
_reflns_number_total             5783
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2015-424-136-149-2.cif
_cod_data_source_block           3
_cod_original_cell_volume        1283.82(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1518809