Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2'-bipyridine
Jun Ni; Xu Zhang; Nan Qiu; Yu-Hui Wu; Li-Yi Zhang; Jing Zhang; Zhong-Ning Chen; Inorganic Chemistry 50 (2011) 9090–9096; doi:10.1021/ic2012777

data_4326281
_publ_section_title
;
 Mechanochromic Luminescence Switch of Platinum(II) Complexes with
 5-Trimethylsilylethynyl-2,2'-bipyridine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9090
_journal_page_last               9096
_journal_paper_doi               10.1021/ic2012777
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C32 H27 Cl3 N2 Pt Si'
_chemical_formula_weight         769.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 95.463(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.168(3)
_cell_length_b                   22.491(8)
_cell_length_c                   19.119(7)
_cell_measurement_temperature    293(2)
_cell_volume                     3068(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.1093
_diffrn_reflns_av_sigmaI/netI    0.1168
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18241
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    4.898
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.4320
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.271
_refine_diff_density_min         -3.728
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5240
_refine_ls_number_restraints     125
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0764
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1023P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1742
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                3707
_reflns_number_total             5240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2012777_si_002_2.cif
_cod_data_source_block           complex_1_CHCl3
_cod_original_cell_volume        3068.2(18)
_cod_database_code               4326281