Information card for entry 7113515

Structure parameters

• Common name: compound 2
• Formula: C29 H52 B11 F Zr
• Calculated formula: C29 H52 B11 F Zr
• Title of publication: [Cp~2~ZrMe(12-μ-Me-1-closo-CB~11~HMe~10~)]: a transition metal complex of a highly-methylated carborane anion
• Authors of publication: Ingleson, Michael J.; Clarke, Adam; Mahon, Mary F.; Rourke, Jonathan P.; Weller, Andrew S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1930 - 1931
• a: 10.393 ± 0.0001 Å
• b: 23.415 ± 0.0002 Å
• c: 14.407 ± 0.0001 Å
• α: 90°
• β: 97.547 ± 0.001°
• γ: 90°
• Cell volume: 3475.6 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103821
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No