Information card for entry 4069603

Structure parameters

• Formula: C23 H31 B10 Cl Zr
• Calculated formula: C23 H29 B10 Cl Zr
• Title of publication: Reaction of Zirconocene−Carboryne Precursor with Alkynes: An Efficient Route to Zirconacyclopentenes Incorporating a Carboranyl Unit
• Authors of publication: Ren, Shikuo; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4106
• a: 10.4795 ± 0.0015 Å
• b: 10.6299 ± 0.0015 Å
• c: 12.7574 ± 0.0017 Å
• α: 74.933 ± 0.002°
• β: 81.51 ± 0.003°
• γ: 76.395 ± 0.002°
• Cell volume: 1328.1 ± 0.3 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: 0.0928
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No