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_7048942
_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
'C17 H11 Cl N Pt Tl, 0.283(C3 H6 O), 0.192(H2 O)'
_chemical_formula_sum            'C17.85 H13.08 Cl N O0.47 Pt Tl'
_chemical_formula_weight         684.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_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                90
_cell_angle_beta                 102.180(2)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   21.1251(4)
_cell_length_b                   19.1790(4)
_cell_length_c                   24.3449(5)
_cell_measurement_reflns_used    16661
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8560
_cell_measurement_theta_min      4.3060
_cell_volume                     9641.5(3)
_computing_cell_refinement
;
'Tue Oct 25 11:34:29 2016'
;
_computing_data_collection
;
'Tue Oct 25 11:34:29 2016'
;
_computing_data_reduction
;
'Tue Oct 25 11:34:29 2016'
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0650
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            54965
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         4.284
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    18.875
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'Tue Oct 25 11:34:29 2016'
;
_exptl_crystal_colour            'translucent light red'
_exptl_crystal_density_diffrn    2.828
_exptl_crystal_description       prism
_exptl_crystal_F_000             7368
_exptl_crystal_size_max          0.2670
_exptl_crystal_size_mid          0.2005
_exptl_crystal_size_min          0.0744
_refine_diff_density_max         3.504
_refine_diff_density_min         -1.850
_refine_diff_density_rms         0.413
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1220
_refine_ls_number_reflns         16855
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0960P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1582
_refine_ls_wR_factor_ref         0.1765
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12675
_reflns_number_total             16855
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00121b2.cif
_cod_data_source_block           7_amt889
_cod_depositor_comments
'Adding full bibliography for 7048938--7048945.cif.'
_cod_original_cell_volume        9641.5(4)
_cod_database_code               7048942
_shelxl_version_number           2013-4
_shelx_res_checksum              45627