Information card for entry 4325458

Structure parameters

• Formula: C22 H30 O2 Ru2
• Calculated formula: C22 H32 O2 Ru2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]162345([H][Ru]23456([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([H]1)C#[O])C#[O])C)C)C)C
• Title of publication: Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9
• Authors of publication: K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5824 - 5832
• a: 7.2377 ± 0.0003 Å
• b: 15.2598 ± 0.0006 Å
• c: 10.1424 ± 0.0004 Å
• α: 90°
• β: 107.446 ± 0.001°
• γ: 90°
• Cell volume: 1068.66 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No