Information card for entry 4325454

Structure parameters

• Formula: C29 H32 B2 Fe3 O9 Ru2
• Calculated formula: C29 H32 B2 Fe3 O9 Ru2
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15%16%17([Fe]%18%19%201([Fe]1%21([Fe]2%10%18([BH]%11%19)([C]3%12=O)([B]4%201[H]%21)(C#[O])C#[O])(C#[O])(C#[O])C#[O])([C]5%13=O)(C#[O])C#[O])[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)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: 10.3081 ± 0.0004 Å
• b: 10.8988 ± 0.0005 Å
• c: 16.0185 ± 0.0007 Å
• α: 74.054 ± 0.004°
• β: 81.082 ± 0.003°
• γ: 67.255 ± 0.004°
• Cell volume: 1593.39 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No