Information card for entry 4346322

Structure parameters

• Formula: C27 H33 B3 O7 Ru4
• Calculated formula: C27 H33 B3 O7 Ru4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]167892345[C]2(=O)[Ru]345%10%11%12%137([c]7([c]3([c]4([c]5([c]%107C)C)C)C)C)[BH]1[BH]16%11[BH]3%12[Ru]82%13(C#[O])(C#[O])(C#[O])[Ru]913(C#[O])(C#[O])C#[O])C)C)C)C
• Title of publication: Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.
• Authors of publication: Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8673 - 8678
• a: 10.6448 ± 0.0003 Å
• b: 10.9034 ± 0.0003 Å
• c: 15.3753 ± 0.0004 Å
• α: 98.366 ± 0.001°
• β: 92.896 ± 0.001°
• γ: 116.039 ± 0.001°
• Cell volume: 1573.14 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No