Information card for entry 4332785

Structure parameters

• Formula: C56 H31 Cl13 I N8 O2 Ru2
• Calculated formula: C56 H31 Cl13 I N8 O2 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)([N](=CN5c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)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: 12.8766 ± 0.0009 Å
• b: 13.0643 ± 0.0009 Å
• c: 21.5652 ± 0.0014 Å
• α: 107.493 ± 0.001°
• β: 91.923 ± 0.001°
• γ: 104.573 ± 0.001°
• Cell volume: 3325.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No