Information card for entry 4075622

Structure parameters

• Formula: C45 H48 B10 P2 Ru
• Calculated formula: C45 H48 B10 P2 Ru
• SMILES: [RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]56[cH]4[cH]3[cH]2[c]16[C]1234[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%16%13[BH]%13%10%12[BH]%1079[BH]726[BH]3%151[BH]%16%13%107)[C]48%11%14C5C
• Title of publication: Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands
• Authors of publication: Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4188
• a: 10.3347 ± 0.0015 Å
• b: 12.5767 ± 0.0018 Å
• c: 16.789 ± 0.002 Å
• α: 81.816 ± 0.003°
• β: 81.231 ± 0.003°
• γ: 84.432 ± 0.003°
• Cell volume: 2128.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No