Information card for entry 4115824

Structure parameters

• Formula: C53 H40 F24 Mn2 N4 O9
• Calculated formula: C53 H40 F24 Mn2 N4 O9
• Title of publication: A Novel, Tunable Manganese Coordination System Based on a Flexible "Spacer" Unit: Noncovalent Templation Effects
• Authors of publication: Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11982 - 11990
• a: 10.0966 ± 0.0004 Å
• b: 13.1001 ± 0.0004 Å
• c: 13.3725 ± 0.0004 Å
• α: 61.1082 ± 0.0018°
• β: 86.596 ± 0.002°
• γ: 80.188 ± 0.002°
• Cell volume: 1525.39 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No