Information card for entry 4060747

Structure parameters

• Formula: C33 H35 Cl Fe2 O10 Ru2
• Calculated formula: C33 H35 Cl Fe2 O10 Ru2
• SMILES: [Ru]1234([H][Ru]56([Fe]789%10([C]5=[C]3[Fe]35%11%121(C4=O)(C#[O])[c]1([c]3([c]5([c]%11([c]%121C)C)C)C)C)(C6=O)(C#[O])[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(OC(=[O]2)C(Cl)C)(C#[O])C#[O])(C#[O])C#[O]
• 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: 15.92 ± 0.006 Å
• b: 11.83 ± 0.001 Å
• c: 18.874 ± 0.002 Å
• α: 90°
• β: 101.139 ± 0.004°
• γ: 90°
• Cell volume: 3487 ± 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: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No