Information card for entry 4060748

Structure parameters

• Formula: C61 H66 Fe2 O8 P2 Ru2
• Calculated formula: C61 H52 Fe2 O8 P2 Ru2
• SMILES: [Ru]1234([Ru]56([Fe]789%10([C]5=[C]3[Fe]35%11%121(C#[O])(C4=O)[c]1([c]%12([c]%11([c]5([c]31C)C)C)C)C)(C#[O])(C6=O)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].CCCCCC
• Title of publication: Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds
• Authors of publication: Masako Terada; Munetaka Akita
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 355 - 364
• a: 13.687 ± 0.002 Å
• b: 13.689 ± 0.003 Å
• c: 30.766 ± 0.003 Å
• α: 90°
• β: 101.511 ± 0.006°
• γ: 90°
• Cell volume: 5648 ± 1 ų
• Cell temperature: 213 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
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No