Information card for entry 7224669

Structure parameters

• Formula: C14 H12 O13 Ru2
• Calculated formula: C14 H12 O13 Ru2
• SMILES: [Ru]12([Ru]([O]=C(O1)c1occc1)([OH2])(OC(=[O]2)c1occc1)(C#[O])C#[O])([OH2])(C#[O])C#[O].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: 11.3011 ± 0.0002 Å
• b: 11.3011 ± 0.0002 Å
• c: 30.7585 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3928.32 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No