Information card for entry 4301168

Structure parameters

• Formula: C42 H62 B N3 O3 Zr
• Calculated formula: C42 H62 B N3 O3 Zr
• Title of publication: Pentaarylfullerenes as Noncoordinating Cyclopentadienyl Anions
• Authors of publication: Marco W. Bouwkamp; Auke Meetsma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8 - 9
• a: 10.1183 ± 0.0009 Å
• b: 12.3647 ± 0.0012 Å
• c: 16.7412 ± 0.0016 Å
• α: 86.4063 ± 0.0012°
• β: 73.1732 ± 0.0012°
• γ: 89.0901 ± 0.0012°
• Cell volume: 2000.9 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0571
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4301163
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No