Vapor-Controlled Linkage Isomerization of a Vapochromic Bis(thiocyanato)platinum(II) Complex: New External Stimuli To Control Isomerization Behavior
Atsushi Kobayashi; Yuki Fukuzawa; Ho-Chol Chang; Masako Kato; Inorganic Chemistry 51 (2012) 7508–7519; doi:10.1021/ic202734f

data_4329678
_publ_contact_author_email       akoba@sci.hokudai.ac.jp
_publ_contact_author_fax         +81-11-706-3447
_publ_contact_author_name        'Atsushi Kobayashi'
_publ_contact_author_phone       +81-11-706-3819
_publ_section_title
;
 Vapor-Controlled Linkage Isomerization of a Vapochromic
 Bis(thiocyanato)platinum(II) Complex: New External Stimuli To Control
 Isomerization Behavior
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7508
_journal_page_last               7519
_journal_paper_doi               10.1021/ic202734f
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C14 H8 N4 O4 Pt S2 '
_chemical_formula_sum            'C14 H8 N4 O4 Pt S2'
_chemical_formula_weight         555.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.7993(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.541(2)
_cell_length_b                   9.180(3)
_cell_length_c                   22.269(7)
_cell_measurement_reflns_used    4031
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1523.5(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      153.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11637
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    9.478
_exptl_absorpt_correction_T_max  0.150
_exptl_absorpt_correction_T_min  0.118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.422
_exptl_crystal_description       block
_exptl_crystal_F_000             1048.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         4.06
_refine_diff_density_min         -1.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3463
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0237P)^2^+14.5890P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0882
_reflns_number_gt                3182
_reflns_number_total             3463
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic202734f_si_001_1.cif
_cod_data_source_block           '__1SN'
_cod_original_cell_volume        1523.4(8)
_cod_original_formula_sum        'C14 H8 N4 O4 Pt S2 '
_cod_database_code               4329678