Information card for entry 7235996

Structure parameters

• Formula: C62.54 H63.32 Cl2 Mn N4
• Calculated formula: C62.54 H63.32 Cl2 Mn N4
• Title of publication: Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks
• Authors of publication: Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 102
• Pages of publication: 84134
• a: 14.5708 ± 0.0013 Å
• b: 12.2088 ± 0.0012 Å
• c: 17.3624 ± 0.0017 Å
• α: 90°
• β: 90.061 ± 0.002°
• γ: 90°
• Cell volume: 3088.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No