Information card for entry 4332789

Structure parameters

• Formula: C70 H51 Cl12 N8 O2 Ru2
• Calculated formula: C70 H49 Cl12 N8 O2 Ru2
• SMILES: [Ru]1234([Ru](N(C=[N]4c4cc(cc(Cl)c4)Cl)c4cc(Cl)cc(Cl)c4)(N(C=[N]1c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(C#Cc1ccccc1)([N](=CN2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[N](=C(N3C)c1ccc(cc1)C#C)C)C#Cc1ccccc1.O1CCCC1.O
• 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: 14.4436 ± 0.0019 Å
• b: 14.451 ± 0.002 Å
• c: 18.962 ± 0.003 Å
• α: 93.125 ± 0.011°
• β: 99.824 ± 0.011°
• γ: 106.141 ± 0.009°
• Cell volume: 3724.3 ± 1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No