Information card for entry 4332788

Structure parameters

• Formula: C50 H32 Cl13 N8 Ru2
• Calculated formula: C50 H31 Cl13 N8 Ru2
• SMILES: [Ru]1234([Ru]([N](=C(N1C)c1ccc(cc1)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](=CN4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)Cl
• Title of publication: Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery
• Authors of publication: Chen, Wei-Zhong; Ren, Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8156 - 8164
• a: 11.6248 ± 0.001 Å
• b: 15.1656 ± 0.0013 Å
• c: 32.409 ± 0.003 Å
• α: 90°
• β: 100.034 ± 0.001°
• γ: 90°
• Cell volume: 5626.2 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No