Information card for entry 4030817

Structure parameters

• Formula: K4 Nb2 S11
• Calculated formula: K4 Nb2 S11
• SMILES: [K+].[K+].[K+].[K+].[Nb]1234(S[Nb]56([S]1S2)(S[S]45)(SS6)=S)(=S)SS3
• Title of publication: K4Nb2S11, the first niobium polysulfide with the monomeric anion Nb2S11(4-):
• Authors of publication: Bensch, W.; Durichen, P.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 33
• Pages of publication: 527 - 536
• a: 13.107 ± 0.003 Å
• b: 7.471 ± 0.001 Å
• c: 17.966 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.3 ± 0.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No