Information card for entry 7224670

Structure parameters

• Formula: C40 H28 N8 O16 Ru4
• Calculated formula: C40 H28 N8 O16 Ru4
• SMILES: C1(=O)c2[n]([Ru]34(C#[O])([O]1[Ru]15(C#[O])(C#[O])[n]6c(C(=O)[O]1[Ru]14(C#[O])(C#[O])[n]4c(C(=O)[O]1[Ru]15(C#[O])(C#[O])[n]5c(C(=O)[O]31)cccc5)cccc4)cccc6)C#[O])cccc2.CC#N.CC#N.CC#N.CC#N
• Title of publication: Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration
• Authors of publication: Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.341 ± 0.004 Å
• b: 15.341 ± 0.004 Å
• c: 9.98 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No