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_7048945
_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_moiety         'C18 H11 N2 Pt Tl, C3 H7 N O'
_chemical_formula_sum            'C21 H18 N3 O Pt Tl'
_chemical_formula_weight         727.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-02-05 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                70.3429(18)
_cell_angle_beta                 88.3015(12)
_cell_angle_gamma                79.2532(13)
_cell_formula_units_Z            4
_cell_length_a                   5.94053(7)
_cell_length_b                   15.5744(3)
_cell_length_c                   22.0135(4)
_cell_measurement_reflns_used    18124
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1350
_cell_measurement_theta_min      4.5480
_cell_volume                     1883.15(6)
_computing_cell_refinement
;
'Mon Jun 08 10:37:57 2015'
;
_computing_data_collection
;
'Mon Jun 08 10:37:57 2015'
;
_computing_data_reduction
;
'Mon Jun 08 10:37:57 2015'
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            40943
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.235
_diffrn_reflns_theta_min         4.493
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    15.982
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'Mon Jun 08 10:37:57 2015'
;
_exptl_crystal_colour            'translucent pale orange'
_exptl_crystal_density_diffrn    2.567
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.1400
_exptl_crystal_size_mid          0.0900
_exptl_crystal_size_min          0.0500
_refine_diff_density_max         1.319
_refine_diff_density_min         -1.193
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         9120
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0234P)^2^+7.5034P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0596
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7738
_reflns_number_total             9120
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00121b2.cif
_cod_data_source_block           8_amt911
_cod_depositor_comments
'Adding full bibliography for 7048938--7048945.cif.'
_cod_original_cell_volume        1883.16(6)
_cod_database_code               7048945
_shelxl_version_number           2013-4
_shelx_res_checksum              40203