Information card for entry 4083963

Structure parameters

• Formula: C64 H60 I2 N8 O4 Ru2
• Calculated formula: C64 H60 I2 N8 O4 Ru2
• SMILES: [Ru]1234([Ru](C#Cc5ccccc5)([N](=C(c5ccc(I)cc5)N1C)C)([N](=C(c1ccc(I)cc1)N2C)C)(N(C=[N]3c1cc(ccc1)OC)c1cc(ccc1)OC)N(C=[N]4c1cc(ccc1)OC)c1cccc(c1)OC)C#Cc1ccccc1
• 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: 13.9277 ± 0.0009 Å
• b: 20.2552 ± 0.0011 Å
• c: 23.2474 ± 0.0014 Å
• α: 69.391 ± 0.001°
• β: 83.568 ± 0.001°
• γ: 89.617 ± 0.001°
• Cell volume: 6096.2 ± 0.6 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: 0.0774
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060531
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No