Information card for entry 4115825

Structure parameters

• Formula: C58 H42 F24 Mn2 N6 O12
• Calculated formula: C58 H42 F24 Mn2 N6 O12
• 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: 14.0984 ± 0.0003 Å
• b: 14.6254 ± 0.0004 Å
• c: 16.4762 ± 0.0003 Å
• α: 80.7262 ± 0.0013°
• β: 78.7341 ± 0.0013°
• γ: 89.5633 ± 0.0013°
• Cell volume: 3287.3 ± 0.13 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: 0.1003
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No