Information card for entry 4115823

Structure parameters

• Formula: C38 H32 F12 Mn N2 O4
• Calculated formula: C38 H32 F12 Mn N2 O4
• 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: 14.2058 ± 0.0003 Å
• b: 9.992 ± 0.0003 Å
• c: 14.4406 ± 0.0003 Å
• α: 90°
• β: 102.674 ± 0.001°
• γ: 90°
• Cell volume: 1999.82 ± 0.08 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No