Information card for entry 4060529

Structure parameters

• Formula: C35 H38 Cl3 N4 O9 Ru2
• Calculated formula: C35 H38 Cl3 N4 O9 Ru2
• SMILES: [Ru]1234([Ru](Cl)([O]=C(O1)C)(OC(=[O]4)C)(N(C=[N]2c1cc(ccc1)OC)c1cc(ccc1)OC)[N](=CN3c1cc(ccc1)OC)c1cc(ccc1)OC)[OH2].ClCCl
• Title of publication: Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds
• Authors of publication: Chen, Wei-Zhong; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2660 - 2669
• a: 9.8249 ± 0.0004 Å
• b: 12.2573 ± 0.0005 Å
• c: 17.0168 ± 0.0007 Å
• α: 109.913 ± 0.001°
• β: 90.523 ± 0.001°
• γ: 93.375 ± 0.001°
• Cell volume: 1922.48 ± 0.14 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: 0.0421
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No