Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)
Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams; Inorganic Chemistry 44 (2005) 3664–3668; doi:10.1021/ic048224w

data_1100965
_publ_contact_author_email       jplang@suda.edu.cn
_publ_contact_author_fax         86-512-65213506
_publ_contact_author_name        'Jian-Ping Lang'
_publ_contact_author_phone       86-512-65224783
_publ_section_title
;

Acetic Acid Induced Self-Assembly of Supramolecular Compounds

[Et4N]3[(WS4Cu2)2(\m-CN)3].2MeCN and [PPh4][WS4Cu3(\m-CN)2].MeCN from

Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3664
_journal_page_last               3668
_journal_paper_doi               10.1021/ic048224w
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C50 H40 Cu2 N2 P2 S4 W '
_chemical_formula_sum            'C50 H40 Cu2 N2 P2 S4 W'
_chemical_formula_weight         1170.01
_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'
_cell_angle_alpha                70.926(13)
_cell_angle_beta                 65.352(11)
_cell_angle_gamma                88.35(2)
_cell_formula_units_Z            2
_cell_length_a                   12.7724(4)
_cell_length_b                   14.3104(7)
_cell_length_c                   15.4164(6)
_cell_measurement_reflns_used    4286
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2401.4(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.9843
_diffrn_measured_fraction_theta_max 0.9843
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.064
_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       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24406
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.546
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.547
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1160.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.76
_refine_diff_density_min         -1.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     590
_refine_ls_number_reflns         6055
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0020Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                6055
_reflns_number_total             10846
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic048224wsi20041217_031201_2.cif
_cod_data_source_block           '[PPh4]2[WS4(CuCN)2]'
_cod_original_cell_volume        2401.4(2)
_cod_original_formula_sum        'C50 H40 Cu2 N2 P2 S4 W '
_cod_database_code               1100965