Information card for entry 4338141

Structure parameters

• Formula: C42 H45 N2 O26 Ru10 Se4
• Calculated formula: C42 H45 N2 O26 Ru10 Se4
• SMILES: C(#[O])[Ru]12345(C#[O])C(=O)[Ru]6783(C#[O])(C#[O])[Se]31[Ru]197(C#[O])(C#[O])(C(=O)[Ru]439(C#[O])(C#[O])([Se]261)[Ru]1235(C#[O])C(=O)[Ru]43(C1=O)(C#[O])([O]=C(C)O2)[Ru]1235(C#[O])(C#[O])C(=O)[Ru]6793(C#[O])(C#[O])[Se]31[Ru]1%107(C#[O])(C#[O])(C(=O)[Ru]453%10(C#[O])(C#[O])[Se]261)[H]9)[H]8.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: 13.5081 ± 0.0004 Å
• b: 14.1852 ± 0.0004 Å
• c: 20.8051 ± 0.0006 Å
• α: 71.234 ± 0.001°
• β: 82.852 ± 0.001°
• γ: 83.466 ± 0.001°
• Cell volume: 3733.75 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No