Hysteretic vapour response of a heterodinuclear platinum(ii)-copper(ii) complex derived from the dimer-of-dimer motif and the guest-absorbing site.
Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kouyama, Takahiko; Kato, Tatsuhisa; Kato, Masako; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7514–7521; doi:10.1039/c4dt00316k

data_7030338
_publ_section_title
;
 Hysteretic vapour response of a heterodinuclear platinum(ii)-copper(ii)
 complex derived from the dimer-of-dimer motif and the guest-absorbing
 site.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7514
_journal_page_last               7521
_journal_paper_doi               10.1039/c4dt00316k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C34.50 H33 Cu F12 N6 O1.50 P2 Pt S2'
_chemical_formula_sum            'C34.5 H33 Cu F12 N6 O1.5 P2 Pt S2'
_chemical_formula_weight         1168.36
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_audit_creation_method           'by CrystalStructure 4.0'
_cell_angle_alpha                63.0935(10)
_cell_angle_beta                 87.697(14)
_cell_angle_gamma                64.1812(10)
_cell_formula_units_Z            2
_cell_length_a                   12.6353(2)
_cell_length_b                   13.9724(9)
_cell_length_c                   14.9026(3)
_cell_measurement_reflns_used    6900
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.10
_cell_volume                     2071.23(19)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_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      150
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32453
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.145
_exptl_absorpt_correction_T_max  0.602
_exptl_absorpt_correction_T_min  0.287
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1142.00
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.240
_refine_diff_density_max         1.170
_refine_diff_density_min         -1.400
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     559
_refine_ls_number_reflns         9491
_refine_ls_number_restraints     2
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0422P)^2^+1.9012P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                8797
_reflns_number_total             9491
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4dt00316k2.cif
_cod_data_source_block           syn-[PtCu-Me2CO]_revised
_cod_original_cell_volume        2071.2(2)
_cod_original_formula_sum        'C34.50 H33 Cu F12 N6 O1.50 P2 Pt S2'
_cod_database_code               7030338