Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II) Complexes
Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Kubicki, Maciej; Rashidi, Mehdi; New J. Chem. 41 (2017) 13293–13302; doi:10.1039/C7NJ03034G

data_7056656
_publ_section_title
;
 Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II)
 Complexes
;
_journal_issue                   22
_journal_name_full               'New J. Chem.'
_journal_page_first              13293
_journal_page_last               13302
_journal_paper_doi               10.1039/C7NJ03034G
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C117 H90 Cl2 F6 N4 O4 P4 Pt4'
_chemical_formula_sum            'C117 H90 Cl2 F6 N4 O4 P4 Pt4'
_chemical_formula_weight         2705.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-26 deposited with the CCDC.
2017-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.9670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   33.7250(2)
_cell_length_b                   11.08820(10)
_cell_length_c                   26.5368(2)
_cell_measurement_reflns_used    74581
_cell_measurement_temperature    130(1)
_cell_measurement_theta_max      73.7367
_cell_measurement_theta_min      2.6217
_cell_volume                     9910.12(13)
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_collection       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      130(1)
_diffrn_detector_area_resol_mean 10.5357
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       '/w scan'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            9968
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         73.893
_diffrn_reflns_theta_min         2.624
_exptl_absorpt_coefficient_mu    11.991
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_description       block
_exptl_crystal_F_000             5248
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.506
_refine_diff_density_min         -2.819
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         9968
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.299
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0912P)^2^+37.2297P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1361
_refine_ls_wR_factor_ref         0.1361
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9957
_reflns_number_total             9968
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj03034g2.cif
_cod_data_source_block           5c
_cod_database_code               7056656
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              83690