Information card for entry 4502276

Structure parameters

• Formula: C378 H126 Cl6 Mn3 N20
• Calculated formula: C378.025 H126.017 Cl6.0084 Mn3 N20
• Title of publication: Molecular Complex of Fullerene C70with a Trinuclear Coordination Assembly of Manganese(II) Tetraphenylporphyrins with Octaazacryptand
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1451
• a: 23.6415 ± 0.0009 Å
• b: 23.6415 ± 0.0009 Å
• c: 23.7812 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11511 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No