Information card for entry 4066855

Structure parameters

• Formula: C18 H20 Mn3 N O10 Se4
• Calculated formula: C18 H20 Mn3 N O10 Se4
• SMILES: C(#[O])[Mn]12(C#[O])(C#[O])[Se]3[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Se]4[Mn](C#[O])(C#[O])(C#[O])([Se]13)[Se]24.C(C)[N+](CC)(CC)CC
• Title of publication: Selenium−Manganese Carbonyl Clusters: Synthesis, Reversible Transformation, Electrochemical Properties, and Theoretical Calculations
• Authors of publication: Ho, Chia-Hua; Chu, Yen-Yi; Lin, Chien-Nan; Chen, Horng-Wen; Huang, Chung-Yi; Shieh, Minghuey
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4396
• a: 14.1388 ± 0.0005 Å
• b: 11.0309 ± 0.0004 Å
• c: 18.2238 ± 0.0006 Å
• α: 90°
• β: 93.449 ± 0.002°
• γ: 90°
• Cell volume: 2837.1 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No