Information card for entry 4063289

Structure parameters

• Formula: C70 H64 Cl2 Fe2 O7 Ru2 Si2
• Calculated formula: C70 H62 Cl2 Fe2 O7 Ru2 Si2
• SMILES: [Ru]1234([C](#[C]3[Si](c3ccccc3)(c3ccccc3)c3ccccc3)[Ru]356([Fe]789%10([C]6#[C]2[Fe]26%11%121(C#[O])(C4=O)[c]1([c]2([c]6([c]%11([c]%121C)C)C)C)C)([CH]3=[CH]5[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[c]1([c]9([c]%10([c]7([c]81C)C)C)C)C)(C#[O])C#[O])(C#[O])C#[O].ClCCl
• 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: 30.9399 ± 0.0004 Å
• b: 11.5905 ± 0.0002 Å
• c: 40.1255 ± 0.0006 Å
• α: 90°
• β: 113.399 ± 0.0009°
• γ: 90°
• Cell volume: 13206 ± 0.4 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.721
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No