Information card for entry 7100025

Structure parameters

• Formula: C27 H40 B6 Fe2 O7 Ru2
• Calculated formula: C27 H40 B6 Fe2 O7 Ru2
• SMILES: [Ru]1234567([B]89%10%11%12[Fe]%13([Fe]%148([H]9)([B]89%11%13([Ru]%11%13%15%16%17%18%19([H]8)([BH]1%129[BH]12%11[BH]23[H][BH]%1312[H]%15)[c]1([c]%16([c]%17([c]%18([c]%191C)C)C)C)C)[H]%14)(C#[O])(C#[O])C#[O])([H]%10)(C#[O])(C#[O])C#[O])([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)C#[O]
• Title of publication: Condensed metallaborane clusters: Synthesis and structure of Fe2(CO)6(h5-C5Me5RuCO)(h5-C5Me5Ru)B6H10
• Authors of publication: S.Ghosh; B.C.Noll; T.P.Fehlner
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.6024 ± 0.001 Å
• b: 22.536 ± 0.002 Å
• c: 16.0264 ± 0.0016 Å
• α: 90°
• β: 99.642 ± 0.002°
• γ: 90°
• Cell volume: 3419.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No