Information card for entry 4073692

Structure parameters

• Formula: C68 H46 Cl12 N8 O2 Ru2
• Calculated formula: C68 H46 Cl12 N8 O2 Ru2
• SMILES: [Ru]1234([Ru]([N](=C(N1C)c1ccc(cc1)/C=C/C(=O)OC)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)C#Cc1ccccc1)C#Cc1ccccc1
• 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: 11.1108 ± 0.0002 Å
• b: 14.471 ± 0.0003 Å
• c: 21.901 ± 0.0007 Å
• α: 89.545 ± 0.0017°
• β: 84.059 ± 0.003°
• γ: 72.877 ± 0.003°
• Cell volume: 3346.24 ± 0.15 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: 0.095
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No