Information card for entry 4060749

Structure parameters

• Formula: C68 H69 B F4 Fe2 O7 P2 Ru2
• Calculated formula: C68 H53 B F4 Fe2 O7 P2 Ru2
• SMILES: [Ru]12345([Ru]67([Fe]89%10%11%122([C]4([Fe]24%13%141(C#[O])(C5=O)[c]1([c]2([c]4([c]%13([c]%141C)C)C)C)C)=[CH]68)(C7=O)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].F[B](F)(F)[F-].c1(ccccc1)C.c1(ccccc1)C
• 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: 12.623 ± 0.003 Å
• b: 20.931 ± 0.004 Å
• c: 12.634 ± 0.002 Å
• α: 102.96 ± 0.01°
• β: 93.7 ± 0.01°
• γ: 100.648 ± 0.003°
• Cell volume: 3177 ± 1 ų
• Cell temperature: 213 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No