Information card for entry 4060528

Structure parameters

• Formula: C68 H73 I N8 O6 Ru2 Si2
• Calculated formula: C68 H73 I N8 O6 Ru2 Si2
• SMILES: [Ru]1234([Ru](C#CC#C[Si](C)(C)C)([N](=C(c5ccc(cc5)I)N1C)C)([N](=CN2c1cc(ccc1)OC)c1cc(ccc1)OC)([N](=CN3c1cc(ccc1)OC)c1cccc(c1)OC)[N](=CN4c1cc(ccc1)OC)c1cccc(c1)OC)C#CC#C[Si](C)(C)C
• 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: 21.2595 ± 0.0007 Å
• b: 10.4058 ± 0.0004 Å
• c: 33.1698 ± 0.0011 Å
• α: 90°
• β: 107.811 ± 0.001°
• γ: 90°
• Cell volume: 6986.2 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No