Information card for entry 7112141

Structure parameters

• Common name: Tugsten sulfide cyano cluster
• Chemical name: hexa sodium octakis(mu!3$-sulfido)-hexakis(cyano)-hexa-tungsten-octadecakis(dimethylsulfide)solvate
• Formula: C42 H108 N6 Na6 O18 S26 W6
• Calculated formula: C42.012 H108.036 N6 Na6 O18.006 S26.006 W6
• SMILES: C(#[N][Na]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C)[W]123[S]4[W]56(C#[N][Na]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C)[S]7[W]89([S]%10[W]4(C#[N][Na]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C)([S]59)[S]2[W]2%10([S]1[W]7(C#[N][Na]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C)([S]82)[S]36)C#[N][Na]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C)C#[N][Na]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C
• Title of publication: Novel octahedral tungsten sulfidocyanide cluster anion [W6S8(CN)6]6‒
• Authors of publication: Jin, Song; DiSalvo, Francis J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1586 - 1587
• a: 26.497 ± 0.003 Å
• b: 26.497 ± 0.003 Å
• c: 12.1761 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7403.3 ± 1.5 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.572
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No