Information card for entry 4073691

Structure parameters

• Formula: C53 H42 Cl13 N8 Ru2 Si
• Calculated formula: C53 H42 Cl13 N8 Ru2 Si
• SMILES: [Ru]1234[Ru](Cl)([N](=C(N1C)c1ccc(cc1)/C=C/[Si](C)(C)C)C)(N(C=[N]2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)N(C=[N]4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
• Title of publication: Peripheral Functionalization of Diruthenium Compounds via Heck Reactions
• Authors of publication: Chen, Wei-Zhong; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4115
• a: 11.5742 ± 0.0007 Å
• b: 13.7446 ± 0.0008 Å
• c: 22.3166 ± 0.0011 Å
• α: 86.287 ± 0.002°
• β: 82.449 ± 0.003°
• γ: 86.862 ± 0.004°
• Cell volume: 3508.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No