Information card for entry 4338144

Structure parameters

• Formula: C26 H40 N2 O10 Ru4 Se2
• Calculated formula: C26 H40 N2 O10 Ru4 Se2
• SMILES: C(#[O])[Ru]1234(C#[O])C(=O)[Ru]562([Se]21[Ru]175(C#[O])(C#[O])C(=O)[Ru]321(C#[O])(C#[O])[Se]467)(C#[O])C#[O].C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC
• Title of publication: CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.
• Authors of publication: Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4284 - 4286
• a: 6.983 ± 0.0004 Å
• b: 19.851 ± 0.0013 Å
• c: 12.712 ± 0.0008 Å
• α: 90°
• β: 100.259 ± 0.002°
• γ: 90°
• Cell volume: 1733.96 ± 0.19 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: 0.0756
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No