Information card for entry 4063290

Structure parameters

• Formula: C41 H44 Fe2 N2 O8 Ru2
• Calculated formula: C41 H36 Fe2 N2 O8 Ru2
• SMILES: [Ru]123([Ru]45([Fe]6789([C]4#[C]2[Fe]24%10%111(C3=O)(C#[O])[c]1([c]%11([c]%10([c]4([c]21C)C)C)C)C)(C5=O)(C#[O])[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)([N]#CC)(C#[O])C#[O])([N]#CC)(C#[O])C#[O].c1(ccccc1)C
• Title of publication: C-C Coupling of a Permetalated Ethene, (μ4-C=C)Ru2(FeCp*)2(CO)10, with Alkynes, and Isolation of a Labile MeCN Adduct, (μ4-C\δb C)Ru2(FeCp*)2(CO)8(NCMe)2
• Authors of publication: Gou Higashihara; Masako Terada; Akiko Inagaki; Munetaka Akita
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 439 - 444
• a: 11.292 ± 0.008 Å
• b: 13.849 ± 0.007 Å
• c: 27.36 ± 0.02 Å
• α: 90°
• β: 94.49 ± 0.03°
• γ: 90°
• Cell volume: 4265 ± 4 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No