Information card for entry 4060750

Structure parameters

• Formula: C42 H38 Fe O5 P2 Ru2
• Calculated formula: C42 H38 Fe O5 P2 Ru2
• SMILES: [Ru]123([Ru]456([Fe]789%10%111([C]34=[CH]57)(C6=O)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(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: 12.213 ± 0.001 Å
• b: 18.566 ± 0.002 Å
• c: 9.8307 ± 0.0008 Å
• α: 104.782 ± 0.007°
• β: 112.424 ± 0.003°
• γ: 79.31 ± 0.002°
• Cell volume: 1982.6 ± 0.3 ų
• Cell temperature: 213 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 significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No