Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose
Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno; Chem.Commun. 50 (2014) 13529–; doi:10.1039/C4cc06775D

data_7115895
_publ_section_title
;
 Counteranion-dependent mechanochromism of a photoluminescent platinum(II)
 complex with mixed terpyridine and thioglucose
;
_journal_name_full               Chem.Commun.
_journal_page_first              13529
_journal_paper_doi               10.1039/C4cc06775D
_journal_volume                  50
_journal_year                    2014
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C21 H25 F6 N3 O6.50 P Pt S'
_chemical_formula_sum            'C21 H25 F6 N3 O6.5 P Pt S'
_chemical_formula_weight         795.56
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                63.162(5)
_cell_angle_beta                 89.461(7)
_cell_angle_gamma                77.050(6)
_cell_formula_units_Z            2
_cell_length_a                   7.9715(3)
_cell_length_b                   13.0562(4)
_cell_length_c                   14.1600(5)
_cell_measurement_reflns_used    13582
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      3.20
_cell_volume                     1274.39(11)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14747
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.718
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.400
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.073
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             774.00
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         4.750
_refine_diff_density_min         -2.410
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  4047 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.003(13)
_refine_ls_extinction_coef       0.0042(8)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     349
_refine_ls_number_reflns         9887
_refine_ls_number_restraints     3
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0000P)^2^+16.5291P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1827
_reflns_number_gt                8148
_reflns_number_total             9887
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4cc06775d3.cif
_cod_data_source_block           '[1]PF6'
_cod_original_cell_volume        1274.39(10)
_cod_original_formula_sum        'C21 H25 F6 N3 O6.50 P Pt S'
_cod_database_code               7115895