Information card for entry 4060554

Structure parameters

• Formula: C91 H81 N11 O6 Ru2 Si2
• Calculated formula: C91 H81 N11 O6 Ru2 Si2
• SMILES: [Ru]1234([Ru]([N](=CN1c1cccc(c1)OC)c1cccc(c1)OC)([N](=CN2c1cccc(c1)OC)c1cccc(c1)OC)([N](=CN3c1cccc(c1)OC)c1cccc(c1)OC)([N](=C(N4C)c1ccc(cc1)c1nnn(c1)Cc1ccccc1)C)C#CC#C[Si](C)(C)C)C#CC#C[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Covalent Modification of Diruthenium Metallaynes: A Novel Application of “Click” Reaction in Organometallic Chemistry
• Authors of publication: Xu, Guo-Lin; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2564 - 2566
• a: 14.32 ± 0.0006 Å
• b: 16.7241 ± 0.0007 Å
• c: 18.8792 ± 0.0008 Å
• α: 99.497 ± 0.001°
• β: 98.636 ± 0.001°
• γ: 93.273 ± 0.001°
• Cell volume: 4393.3 ± 0.3 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: 0.1119
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No