Information card for entry 7017538

Structure parameters

• Formula: C78 H16 Cl N3
• Calculated formula: C77.994 H15.995 Cl0.999 N3
• Title of publication: Molecular and ionic complexes of pyrrolidinofullerene bearing chelating 3-pyridyl units.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Kornev, Alexey B.; Faraonov, Maxim A.; Troshin, Pavel A.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 791 - 798
• a: 10.125 ± 0.0012 Å
• b: 42.021 ± 0.005 Å
• c: 10.0152 ± 0.001 Å
• α: 90°
• β: 101.937 ± 0.011°
• γ: 90°
• Cell volume: 4168.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1366
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No