Information card for entry 7107024

Structure parameters

• Formula: C52 H59 N3 O28 Zn4
• Calculated formula: C52 H59 N3 O28 Zn4
• Title of publication: Fluorescent metal-organic framework for selective sensing of nitroaromatic explosives
• Authors of publication: Bappaditya Gole; Arun Kumar Bar; Partha Sarathi Mukherjee
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12137
• a: 21.312 ± 0.003 Å
• b: 11.2949 ± 0.0015 Å
• c: 29.097 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7004.1 ± 1.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No