Information card for entry 4060526

Structure parameters

• Formula: C47 H48 Cl N6 O9 Ru2
• Calculated formula: C47 H48 Cl N6 O9 Ru2
• SMILES: [Ru]1234([Ru](N(C=[N]1c1cc(ccc1)OC)c1cc(ccc1)OC)(N(C=[N]2c1cc(ccc1)OC)c1cc(ccc1)OC)(N(C=[N]3c1cc(ccc1)OC)c1cc(ccc1)OC)[O]=C(C)O4)Cl.O
• 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: 13.1726 ± 0.001 Å
• b: 15.3578 ± 0.0011 Å
• c: 16.8018 ± 0.0013 Å
• α: 116.426 ± 0.001°
• β: 107.284 ± 0.001°
• γ: 96.207 ± 0.001°
• Cell volume: 2789.2 ± 0.4 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: 0.0969
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No