<i>catena</i>-Poly[[[acetonitrilebis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']dicopper(I)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)-[(1,2-dicyanoethylene-1,2-dithiolato)tungstate(IV)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)] diethyl ether disolvate acetonitrile solvate]
Wei-Wei Fu; Zhong-Ning Chen; Acta Crystallographica Section E 63 (2007) m482–m483; doi:10.1107/S1600536807000979

data_2212059
_publ_section_title
;<i>catena</i>-Poly[[[acetonitrilebis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']dicopper(I)]-\m-(1,2-dicyanoethylene-1,2-dithiolato)-[(1,2-dicyanoethylene-1,2-dithiolato)tungstate(IV)]-\m-(1,2-dicyanoethylene-1,2-dithiolato)]
 diethyl ether disolvate acetonitrile solvate]
;
_journal_coeditor_code           BT2238
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m482
_journal_page_last               m483
_journal_paper_doi               10.1107/S1600536807000979
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C2 H3 N) (C25 H22 P2)2] [W (C4 N2 S2)3], 2C4 H10 O, C2 H3 N'
_chemical_formula_moiety
'C64 H47 Cu2 N7 P4 S6 W, 2(C4 H10 O), C2 H3 N'
_chemical_formula_sum            'C74 H70 Cu2 N8 O2 P4 S6 W'
_chemical_formula_weight         1730.55
_chemical_name_systematic
;
Bis[\m-bis(diphenylphosphino)methane-\k^2^P:P']acetonitriledicopper(I)
tris(1,2-dicyanoethylene-1,2-dithiolato)tungsten(IV)--diethyl
ether--acetonitile (1/2/1)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 96.5020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3530(3)
_cell_length_b                   21.8357(4)
_cell_length_c                   21.2915(3)
_cell_measurement_reflns_used    253
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.34
_cell_volume                     8015.8(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25728
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.34
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.241
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3496
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.753
_refine_diff_density_min         -0.663
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         14033
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.200
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0261P)^2^+28.6662P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1243
_reflns_number_gt                9834
_reflns_number_total             14033
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2238.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               2212059
_cod_database_fobs_code          2212059