Information card for entry 7051138

Structure parameters

• Formula: C18 H11 Co Mo O11 Ru S
• Calculated formula: C18 H11 Co Mo O11 Ru S
• SMILES: [Ru]12([Mo]34567([Co]1([S]23)(C#[O])(C#[O])C#[O])([cH]1[cH]4[cH]5[cH]6[c]71C(=O)CCC(=O)OC)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and reactions of chiral clusters containing an SRuCoMo core
• Authors of publication: Zhang Yu-hua; Yuan Jian-chao; Yin Yuan-qi; Zhou Zhong-yuan; Albert S. C. Chan
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 939 - 944
• a: 7.67 ± 0.003 Å
• b: 22.001 ± 0.01 Å
• c: 13.392 ± 0.006 Å
• α: 90°
• β: 92.23 ± 0.009°
• γ: 90°
• Cell volume: 2258.2 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No