Information card for entry 4301164

Structure parameters

• Formula: C38 H54 B N3 O2 Zr
• Calculated formula: C38 H54 B N3 O2 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: 9.2409 ± 0.0011 Å
• b: 9.2409 ± 0.0011 Å
• c: 42.481 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3627.6 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No