Information card for entry 4063291

Structure parameters

• Formula: C34 H34 Fe2 O10 Ru2
• Calculated formula: C34 H34 Fe2 O10 Ru2
• SMILES: [Ru]123([Ru]45([Fe]6789([CH]4=[CH]2[Fe]24%10%111(C3=O)(C#[O])[c]1([c]2([c]4([c]%10([c]%111CC)C)C)C)C)(C5=O)(C#[O])[c]1([c]9([c]8([c]7([c]61C)C)C)CC)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 14.707 ± 0.007 Å
• b: 11.346 ± 0.005 Å
• c: 20.62 ± 0.01 Å
• α: 90°
• β: 90.57 ± 0.02°
• γ: 90°
• Cell volume: 3440 ± 2 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No