Information card for entry 4060555

Structure parameters

• Formula: C93 H87 N14 O6 Ru2 Si
• Calculated formula: C93 H87 N14 O6 Ru2 Si
• 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: 22.9842 ± 0.0007 Å
• b: 20.0256 ± 0.0006 Å
• c: 19.5247 ± 0.0006 Å
• α: 90°
• β: 98.752 ± 0.001°
• γ: 90°
• Cell volume: 8882 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1162
• 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