Information card for entry 4325457

Structure parameters

• Formula: C22 H37 B3 O2 Ru2
• Calculated formula: C22 H36 B3 O2 Ru2
• SMILES: [Ru]123456([BH2]7[B]892([H]7)[BH2]1([H]8)[Ru]12789(C#[O])[c]9([c]1([c]2([c]7([c]89C)C)C)C)C)(C#[O])[c]1([c]6([c]5([c]4([c]31C)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: 8.3363 ± 0.0004 Å
• b: 36.354 ± 0.002 Å
• c: 9.1085 ± 0.0004 Å
• α: 90°
• β: 116.469 ± 0.006°
• γ: 90°
• Cell volume: 2471 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No