Information card for entry 4332711

Structure parameters

• Formula: C78 H56 Cl13 N8 O Ru2
• Calculated formula: C78 H56 Cl13 N8 O Ru2
• SMILES: [Ru]1234([Ru](N(C=[N]1c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)([N](=CN2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[N](=CN4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)Cl.c1(ccccc1)C.O.Cc1ccccc1
• Title of publication: Suzuki Coupling at the Periphery of Diruthenium Coordination and Organometallic Compounds
• Authors of publication: Xu, Guo-Lin; Ren, Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10449 - 10456
• a: 16.137 ± 0.0014 Å
• b: 28.44 ± 0.003 Å
• c: 18.3273 ± 0.0017 Å
• α: 90°
• β: 99.27 ± 0.002°
• γ: 90°
• Cell volume: 8301.2 ± 1.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.1895
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No