Information card for entry 4310715

Structure parameters

• Formula: C6 Mo6 N6 Na8 O20 Se8
• Calculated formula: C6 Mo6 N6 Na8 O20 Se8
• SMILES: C(#N)[Mo]1234567[Mo]89%10%11%12%13(C#N)[Se]%14[Mo]%15%16%175%11([Se]29)(C#N)[Mo]259%113(C#N)([Mo]3%184%10([Se]18)(C#N)([Mo]%12%14%152(C#N)([Se]%169)([Se]%133)[Se]%11%18)[Se]65)[Se]7%17.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.[Na+].O
• Title of publication: Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters
• Authors of publication: Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1902 - 1911
• a: 10.5887 ± 0.0014 Å
• b: 10.7696 ± 0.0014 Å
• c: 11.6714 ± 0.0015 Å
• α: 105.587 ± 0.003°
• β: 111.282 ± 0.002°
• γ: 104.176 ± 0.002°
• Cell volume: 1104.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No