Luminescent cyclometalated platinum(ii) complexes with acyclic diaminocarbene ligands: structural, photophysical and biological properties.
Martínez-Junquera, Mónica; Lalinde, Elena; Moreno, M. Teresa; Alfaro-Arnedo, Elvira; López, Icíar P; Larráyoz, Ignacio M; Pichel, José G; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4539–4554; doi:10.1039/d1dt00480h

data_7706693
_publ_section_title
;
 Luminescent cyclometalated platinum(ii) complexes with acyclic
 diaminocarbene ligands: structural, photophysical and biological
 properties.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4539
_journal_page_last               4554
_journal_paper_doi               10.1039/d1dt00480h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C23 H24 Cl F2 N3 Pt'
_chemical_formula_sum            'C23 H24 Cl F2 N3 Pt'
_chemical_formula_weight         610.99
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2020-04-02T17:28:51-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2021-02-09 deposited with the CCDC.	2021-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                103.864(4)
_cell_angle_beta                 97.365(4)
_cell_angle_gamma                108.330(4)
_cell_formula_units_Z            4
_cell_length_a                   12.0987(16)
_cell_length_b                   12.5647(17)
_cell_length_c                   16.133(2)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    145(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.97
_cell_measurement_wavelength     0.71076
_cell_volume                     2204.4(5)
_computing_cell_refinement       'SAINT V8.37A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      145(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       '\f or \w oscillation scans'
_diffrn_orient_matrix_UB_11      -0.074625
_diffrn_orient_matrix_UB_12      0.012616
_diffrn_orient_matrix_UB_13      0.012238
_diffrn_orient_matrix_UB_21      -0.020789
_diffrn_orient_matrix_UB_22      -0.069701
_diffrn_orient_matrix_UB_23      0.02254
_diffrn_orient_matrix_UB_31      0.044375
_diffrn_orient_matrix_UB_32      0.051903
_diffrn_orient_matrix_UB_33      0.060226
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            124249
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_min         2.877
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.518
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.196
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.122
_refine_diff_density_max         0.785
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     581
_refine_ls_number_reflns         9358
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0156
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0150P)^2^+1.4586P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0336
_refine_ls_wR_factor_ref         0.0345
_reflns_Friedel_coverage         0
_reflns_number_gt                8467
_reflns_number_total             9358
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00480h2.cif
_cod_data_source_block           3a
_cod_depositor_comments
'Adding full bibliography for 7706693--7706694.cif.'
_cod_database_code               7706693
_shelx_estimated_absorpt_t_min   0.362
_shelx_estimated_absorpt_t_max   0.504