Information card for entry 4060530

Structure parameters

• Formula: C92 H86 Fe2 N8 O5 Ru2
• Calculated formula: C92 H85 Fe2 N8 O5 Ru2
• 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: 22.1088 ± 0.0009 Å
• b: 17.002 ± 0.0007 Å
• c: 22.1884 ± 0.0009 Å
• α: 90°
• β: 93.66 ± 0.001°
• γ: 90°
• Cell volume: 8323.5 ± 0.6 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: 0.087
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No