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_1100966
_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         'C31 H66 Cu4 N8 S8 W2 '
_chemical_formula_sum            'C31 H66 Cu4 N8 S8 W2'
_chemical_formula_weight         1429.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.785(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.078(4)
_cell_length_b                   18.958(7)
_cell_length_c                   13.535(5)
_cell_measurement_reflns_used    6635
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2531.5(17)
_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 14.62
_diffrn_measured_fraction_theta_full 0.9962
_diffrn_measured_fraction_theta_max 0.9962
_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  0.040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25541
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    6.542
_exptl_absorpt_correction_T_max  0.375
_exptl_absorpt_correction_T_min  0.264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1400.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.63
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     239
_refine_ls_number_reflns         4715
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0008Fo^2^ + 1.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                4715
_reflns_number_total             5781
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic048224wsi20041217_031201_3.cif
_cod_data_source_block           '[Et4N]3[{WS4Cu2(m-CN)}2(m'-CN)].2MeCN'
_cod_original_cell_volume        2531.4(17)
_cod_original_formula_sum        'C31 H66 Cu4 N8 S8 W2 '
_cod_database_code               1100966