3-D Coordination Network Structures Constructed from [W6S8(CN)6]6- Anions
Jin, Song; DiSalvo, Francis J.; Chemistry of Materials  (2002) –; doi:

data_4000191
_publ_section_title
;
3-D Coordination Network Structures Constructed from [W6S8(CN)6]6- Anions
;
_journal_name_full               'Chemistry of Materials'
_journal_year                    2002
_chemical_formula_moiety         K2[Zn(H2O)2]2[W6S8(CN)6](H2O)26
_chemical_formula_sum            'C6 H60 K2 N6 O30 S8 W6 Zn2'
_chemical_formula_weight         2204.64
_chemical_melting_point          ?
_chemical_name_common            'linked tugsten sulfido cyanide cluster'
_chemical_name_systematic
;
bis potassium bis zinc(II) octakis(mu!3$-sulfido)-hexakis(cyanide)
-hexa-tungsten- 30(water)solvate
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.693(2)
_cell_length_b                   16.914(3)
_cell_length_c                   11.0355(16)
_cell_measurement_temperature    173(2)
_cell_volume                     2929.2(8)
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_av_sigmaI/netI    0.0754
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4876
_diffrn_reflns_theta_max         20.18
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    13.030
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.153795
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'brown red'
_exptl_crystal_density_diffrn    2.500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         1500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0449P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                937
_reflns_number_total             1500
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      Pnnm
_cod_database_code               4000191