Information card for entry 7017540

Structure parameters

• Formula: C178 H79 Cl6 Mn2 N11
• Calculated formula: C178.006 H79.004 Cl6.002 Mn2 N11
• 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: 28.6483 ± 0.0015 Å
• b: 26.2811 ± 0.0016 Å
• c: 19.8784 ± 0.0012 Å
• α: 90°
• β: 101.854 ± 0.005°
• γ: 90°
• Cell volume: 14647.4 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.3267
• Weighted residual factors for all reflections included in the refinement: 0.3658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No