Information card for entry 4063287

Structure parameters

• Formula: C61 H55 Fe2 O7 P Ru2
• Calculated formula: C61 H55 Fe2 O7 P Ru2
• SMILES: [Ru]123456([Ru]78([P](c9ccccc9)(c9ccccc9)c9ccccc9)([C]4(=[C]43[Fe]39%10%11%121([Fe]1%13%14%1524(C3=O)(C5=O)[c]2([c]%15([c]%14([c]%13([c]12C)C)C)C)C)(C#[O])[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[C]7(=[C]8(C6=O)c1ccccc1)c1ccccc1)(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: 19.3265 ± 0.0007 Å
• b: 10.2203 ± 0.0003 Å
• c: 27.9288 ± 0.0009 Å
• α: 90°
• β: 109.598 ± 0.002°
• γ: 90°
• Cell volume: 5197 ± 0.3 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: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No