Ternary adduct {[W(CN)8]3−,[Pt(en)2]2+,[W(CN)8]3−} in aqueous solution and crystal structure of [Pt(en)2]3[W(CN)8]2·4H2O with infinite linear WPt chains
Robert Podgajny; Barbara Sieklucka; Wiesław Łasocha; J. Chem. Soc., Dalton Trans.  (2000) 1799–1803; doi:10.1039/b000645i

data_7009395
_publ_contact_author             'Barbara Sieklucka'
_publ_section_title
;
 Ternary adduct {[W(CN)8]3&#x2212;,[Pt(en)2]2+,[W(CN)8]3&#x2212;} in
 aqueous solution and crystal structure of
 [Pt(en)2]3[W(CN)8]2&#x00B7;4H2O with infinite linear WPt chains
;
_journal_issue                   11
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1799
_journal_page_last               1803
_journal_paper_doi               10.1039/b000645i
_journal_year                    2000
_chemical_formula_moiety         '3[Pt(C2H8N2)2]  2[W(CN)8] 4[H2O]'
_chemical_formula_sum            'C28 H56 N28 O4 Pt3 W2'
_chemical_formula_weight         1802.06
_chemical_name_systematic
; 

bis(ethane-1,2-amine)platinum(II) octacyanotungstate(V) tetrahydrate 

;
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.329(3)
_cell_length_b                   20.302(5)
_cell_length_c                   27.084(7)
_cell_measurement_temperature    293(2)
_cell_volume                     10078(4)
_computing_molecular_graphics    'PLUTON, ORTEP'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.229
_diffrn_measured_fraction_theta_max 0.229
_diffrn_measurement_device_type  KM4
_diffrn_measurement_method       omega-2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            5297
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        'not observed'
_diffrn_standards_interval_time  2hrs?
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    12.909
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6608
_exptl_crystal_size_max          .24mm
_exptl_crystal_size_mid          .22mm
_exptl_crystal_size_min          .20mm
_refine_diff_density_max         2.499
_refine_diff_density_min         -1.866
_refine_diff_density_rms         0.247
_refine_ls_extinction_coef       0.000096(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.319
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     159
_refine_ls_number_reflns         2747
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.315
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.195
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+291.3104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1429
_refine_ls_wR_factor_ref         0.1499
_reflns_number_gt                2137
_reflns_number_total             2747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b000645i.txt
_cod_data_source_block           pod1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+291.3104P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+291.3104P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               7009395
_title
;

Ternary adduct {[W(CN)8]3-,[Pt(en)2]2+,[W(CN)8]3-} in aqueos solution

and crystal struture of [Pt(en)2]3[W(CN)8]2.4H2O with infinite linear

W...Pt chains

;