Information card for entry 4073690

Structure parameters

• Formula: C80 H68 Cl13 N8 O3 Ru2
• Calculated formula: C80 H68 Cl13 N8 O3 Ru2
• SMILES: [Ru]1234([Ru](N(C=[N]1c1ccc(cc1)/C=C/c1ccccc1)c1ccc(cc1)/C=C/c1ccccc1)(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)Cl.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 11.8095 ± 0.0011 Å
• b: 36.34 ± 0.003 Å
• c: 19.1001 ± 0.0016 Å
• α: 90°
• β: 107.041 ± 0.003°
• γ: 90°
• Cell volume: 7837.1 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 all reflections: 0.127
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No