Information card for entry 7224671

Structure parameters

• Formula: C32 H16 N4 O16 Ru4
• Calculated formula: C32 H16 N4 O16 Ru4
• SMILES: c12cccc[n]2[Ru]23(C#[O])([O](C1=O)[Ru]14(C#[O])(C#[O])[n]5c(cccc5)C(=O)[O]1[Ru]13(C#[O])(C#[O])[n]3c(cccc3)C(=O)[O]1[Ru]14(C#[O])(C#[O])[n]3c(cccc3)C(=O)[O]21)C#[O]
• 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: 15.103 ± 0.0003 Å
• b: 15.103 ± 0.0003 Å
• c: 10.0955 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2302.79 ± 0.11 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: 0.0501
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No