New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.
Campillo, David; Belío, Úrsula; Martín, Antonio; Dalton transactions (Cambridge, England : 2003) 48 (2019) 3270–3283; doi:10.1039/c9dt00121b

data_7048938
_publ_section_title
;
 New Pt\\rightarrow M (M = Ag or Tl) complexes based on anionic
 cyclometalated Pt(ii) complexes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3270
_journal_page_last               3283
_journal_paper_doi               10.1039/c9dt00121b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C33 H47 Cl N2 Pt'
_chemical_formula_weight         702.27
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-07-25 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.3000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.84610(10)
_cell_length_b                   8.57880(10)
_cell_length_c                   18.1409(2)
_cell_measurement_reflns_used    12282
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8360
_cell_measurement_theta_min      4.1515
_cell_volume                     1512.18(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_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 0.923
_diffrn_measurement_details
;
  1 omega   20.00   90.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   57.0000  120.0000 70

  2 omega   36.00   79.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  179.0000    0.0000 43

  3 omega  -49.00   -2.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -57.0000   30.0000 47

  4 omega  -49.00   19.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -57.0000  -30.0000 68

  5 omega  -31.00   21.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -93.0000 -157.0000 52

  6 omega -102.00  -32.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  179.0000  -60.0000 70

  7 omega  -25.00   25.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -99.0000    0.0000 50

  8 omega  -11.00   17.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000  -30.0000 28

  9 omega  -49.00   46.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -57.0000 -150.0000 95

 10 omega  -52.00   54.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -37.0000   90.0000 106

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0522640000
_diffrn_orient_matrix_UB_12      -0.0522793000
_diffrn_orient_matrix_UB_13      0.0069795000
_diffrn_orient_matrix_UB_21      0.0017606000
_diffrn_orient_matrix_UB_22      0.0331717000
_diffrn_orient_matrix_UB_23      0.0359577000
_diffrn_orient_matrix_UB_31      -0.0509543000
_diffrn_orient_matrix_UB_32      0.0547894000
_diffrn_orient_matrix_UB_33      -0.0150841000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17133
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.90
_diffrn_reflns_theta_min         4.16
_exptl_absorpt_coefficient_mu    4.752
_exptl_absorpt_correction_T_max  0.6480
_exptl_absorpt_correction_T_min  0.3205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.003
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6873
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0221
_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^)+(0.0250P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0489
_reflns_number_gt                6368
_reflns_number_total             6873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt00121b2.cif
_cod_data_source_block           1_amt744
_cod_depositor_comments
'Adding full bibliography for 7048938--7048945.cif.'
_cod_original_sg_symbol_H-M      Pc
_cod_database_code               7048938