Information card for entry 2212059

Structure parameters

• Chemical name: Bis[μ-bis(diphenylphosphino)methane-κ^2^P:P']acetonitriledicopper(I) tris(1,2-dicyanoethylene-1,2-dithiolato)tungsten(IV)‒diethyl ether‒acetonitile (1/2/1)
• Formula: C74 H70 Cu2 N8 O2 P4 S6 W
• Calculated formula: C74 H70 Cu2 N8 O2 P4 S6 W
• SMILES: [W]123(SC(C#N)=C(S2)C#N)(SC(=C(S3)C#N)C#N)SC(=C(S1)C#N)C#[N][Cu]1([P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Cu]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC)[N]#CC1S[W]23(SC(C#N)=C(S2)C#N)(SC=1C#N)SC(=C(S3)C#N)C#[N][Cu]1[P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Cu]([P](C[P]1(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[N]#CC.O(CC)CC.O(CC)CC.N#CC.O(CC)CC.O(CC)CC.N#CC
• Title of publication: <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]
• Authors of publication: Wei-Wei Fu; Zhong-Ning Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m482 - m483
• a: 17.353 ± 0.0003 Å
• b: 21.8357 ± 0.0004 Å
• c: 21.2915 ± 0.0003 Å
• α: 90°
• β: 96.502 ± 0.001°
• γ: 90°
• Cell volume: 8015.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes