Information card for entry 7116666

Structure parameters

• Formula: C148 H96 Mn6 N20 O18
• Calculated formula: C148 H96 Mn6 N20 O18
• Title of publication: Molecular self-recognition: a chiral [Mn(II)6] wheel via donor-acceptor pi^...^pi contacts and H-bonds
• Authors of publication: L. A. Barrios; J. Salinas-Uber; O. Roubeau; S. J. Teat; G. Aromi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4631
• a: 27.159 ± 0.004 Å
• b: 13.925 ± 0.002 Å
• c: 41.043 ± 0.005 Å
• α: 90°
• β: 112.375 ± 0.008°
• γ: 90°
• Cell volume: 14353 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1238
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.2767
• Weighted residual factors for all reflections included in the refinement: 0.2829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No