Cyclometalated Platinum(II) Complexes Bearing Bidentate O,O′-Di(alkyl)dithiophosphate Ligands: Photoluminescence and Cytotoxic Properties
Fereidoonnezhad, Masood; Kaboudin, Babak; Mirzaee, Tabassom; Babadi Aghakhanpour, Reza; Golbon Haghighi, Mohsen; Faghih, Zeinab; Faghih, Zahra; Ahmadipour, Zohreh; Notash, Behrouz; Shahsavari, Hamid R.; Organometallics 36 (2017) 1707–; doi:10.1021/acs.organomet.7b00054

data_4087268
_publ_section_title
;
 Cyclometalated Platinum(II) Complexes Bearing Bidentate
 O,O&#x2032;-Di(alkyl)dithiophosphate Ligands: Photoluminescence and
 Cytotoxic Properties
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              1707
_journal_paper_doi               10.1021/acs.organomet.7b00054
_journal_volume                  36
_journal_year                    2017
_chemical_formula_moiety         'C21 H26 N O2 P Pt S2'
_chemical_formula_sum            'C21 H26 N O2 P Pt S2'
_chemical_formula_weight         614.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.882(2)
_cell_length_b                   11.518(2)
_cell_length_c                   18.126(4)
_cell_measurement_reflns_used    6102
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.19
_cell_measurement_theta_min      2.25
_cell_volume                     2266.7(8)
_computing_cell_refinement       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_data_collection       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area (Stoe & Cie GmbH, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_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  0.1103
_diffrn_reflns_av_sigmaI/netI    0.1129
_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       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18123
_diffrn_reflns_theta_full        29.19
_diffrn_reflns_theta_max         29.19
_diffrn_reflns_theta_min         2.25
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.461
_exptl_absorpt_correction_T_max  0.5643
_exptl_absorpt_correction_T_min  0.2950
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'shape of crystal determined optically'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.512
_refine_diff_density_min         -2.603
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         6102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1267
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1280
_refine_ls_wR_factor_ref         0.1471
_reflns_number_gt                3328
_reflns_number_total             6102
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7b00054_si_002.cif
_cod_data_source_block           khd280b
_cod_depositor_comments          'Adding full bibliography for 4087268.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4087268