Information card for entry 4332786

Structure parameters

• Formula: C45 H27 Cl9 I N6 O5 Ru2
• Calculated formula: C45 H27 Cl9 I N6 O5 Ru2
• SMILES: Ic1ccc(C2=[N]([Ru]345([Ru](N2C)(N(C=[N]3c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([N](=CN4c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([O]=C(C)O5)[OH2])Cl)C)cc1.C1CCOC1.C1CCCO1
• 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: 15.416 ± 0.002 Å
• b: 22.943 ± 0.004 Å
• c: 17.11 ± 0.004 Å
• α: 90°
• β: 113.033 ± 0.014°
• γ: 90°
• Cell volume: 5569.2 ± 1.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No