Vapour and mechanically induced chromic behaviour of platinum complexes with a dimer-of-dimer motif and the effects of heterometal ions.
Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako; Dalton transactions (Cambridge, England : 2003) 42 (2013) 5514–5523; doi:10.1039/c3dt33100h

data_7022829
_publ_section_title
;
 Vapour and mechanically induced chromic behaviour of platinum complexes
 with a dimer-of-dimer motif and the effects of heterometal ions.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5514
_journal_page_last               5523
_journal_paper_doi               10.1039/c3dt33100h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C32 H27 F12 N7 P2 Pd Pt S2'
_chemical_formula_sum            'C32 H27 F12 N7 P2 Pd Pt S2'
_chemical_formula_weight         1165.15
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.3480
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   24.7736(16)
_cell_length_b                   11.1858(8)
_cell_length_c                   14.2107(13)
_cell_measurement_reflns_used    9303
_cell_measurement_temperature    153
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.02
_cell_volume                     3934.7(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'ORTEP II and Mercury 3.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      153
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24844
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.274
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_correction_T_min  0.565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            platelet
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       orange
_exptl_crystal_F_000             2248.00
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.520
_refine_diff_density_min         -1.510
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     525
_refine_ls_number_reflns         8824
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0589P)^2^+1.5280P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1186
_reflns_number_gt                7453
_reflns_number_total             8824
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt33100h.txt
_cod_data_source_block           '_anti-[PdPt]2'
_cod_original_cell_volume        3934.7(6)
_cod_database_code               7022829