Information card for entry 4518118

Structure parameters

• Formula: C63 H58 Mn2 N10 O12
• Calculated formula: C63 H58 Mn2 N10 O12
• Title of publication: Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture.
• Authors of publication: Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 12.526 ± 0.005 Å
• b: 14.871 ± 0.005 Å
• c: 16.95 ± 0.006 Å
• α: 104.52 ± 0.008°
• β: 100.667 ± 0.008°
• γ: 99.634 ± 0.008°
• Cell volume: 2926.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No