Information card for entry 7111443

Structure parameters

• Formula: C47.5 H54 B10 Cl4 P2 Ru
• Calculated formula: C47.5 H54 B10 Cl4 P2 Ru
• Title of publication: An unprecedented intramolecular coupling of o-carboranyl and cyclopentadienyl. Synthesis and structural characterization of a ruthenium complex containing a novel doubly-bridged cyclopentadienyl-carboranyl ligand
• Authors of publication: Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 22
• Pages of publication: 2588 - 2589
• a: 11.4675 ± 0.0007 Å
• b: 11.8317 ± 0.0007 Å
• c: 20.3436 ± 0.0013 Å
• α: 83.521 ± 0.001°
• β: 79.263 ± 0.002°
• γ: 74.801 ± 0.001°
• Cell volume: 2611.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0934
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No