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_1518813
_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            'C56 H34 Ag2 Cl2 F10 N4 O8 Pt2'
_chemical_formula_weight         1757.69
_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                75.362(2)
_cell_angle_beta                 66.607(2)
_cell_angle_gamma                66.537(2)
_cell_formula_units_Z            1
_cell_length_a                   10.6514(3)
_cell_length_b                   11.4970(3)
_cell_length_c                   12.3373(3)
_cell_measurement_reflns_used    16220
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.7785
_cell_measurement_theta_min      4.1763
_cell_volume                     1263.92(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_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 0.911
_diffrn_measurement_details
;
  1 omega  -51.00   50.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   77.0000  120.0000 101

  2 omega   19.00   49.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   77.0000  150.0000 30

  3 omega  -49.00   40.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   77.0000   30.0000 89

  4 omega  -11.00   36.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000    0.0000 47

  5 omega   67.00   93.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000  -90.0000 26

  6 omega  -10.00   88.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000 -120.0000 98

  7 omega  -93.00   12.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -37.0000   60.0000 105

  8 omega  -91.00    4.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -57.0000    0.0000 95

  9 omega  -91.00    4.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -57.0000 -180.0000 95

 10 omega -100.00  -34.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615 -179.0000 -120.0000 66

 11 omega   34.00  102.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  179.0000    0.0000 68

 12 omega -102.00  -32.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  179.0000  120.0000 70

 13 omega  -91.00  -49.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -57.0000  -90.0000 42

 14 omega  -25.00   25.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -99.0000 -120.0000 50

 15 omega  -25.00   67.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -99.0000   90.0000 92

 16 omega  -25.00   67.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -99.0000 -120.0000 92

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      0.0669702000
_diffrn_orient_matrix_UB_12      -0.0460863000
_diffrn_orient_matrix_UB_13      -0.0276500000
_diffrn_orient_matrix_UB_21      -0.0170519000
_diffrn_orient_matrix_UB_22      -0.0469858000
_diffrn_orient_matrix_UB_23      0.0476367000
_diffrn_orient_matrix_UB_31      -0.0339965000
_diffrn_orient_matrix_UB_32      -0.0157953000
_diffrn_orient_matrix_UB_33      -0.0306652000
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0375
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_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            27405
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.84
_diffrn_reflns_theta_min         4.18
_exptl_absorpt_coefficient_mu    6.487
_exptl_absorpt_correction_T_max  0.5099
_exptl_absorpt_correction_T_min  0.1918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.451
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6047
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0245
_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^)+(0.0216P)^2^+3.0778P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0558
_reflns_number_gt                5712
_reflns_number_total             6047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2015-424-136-149-6.cif
_cod_data_source_block           6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1518813