Information card for entry 7059846

Structure parameters

• Formula: C48 H46 Mn3 N4 O16
• Calculated formula: C48 H46 Mn3 N4 O16
• Title of publication: Exploratory studies of a multidimensionally talented simple MnII-based porous network: selective “turn-on” recognition @ cysteine over homocysteine with an indication of cystinuria and renal dysfunction
• Authors of publication: Bej, Sourav; Hazra, Abhijit; Das, Riyanka; Saha, Sourav Kr.; Corbella, Montserrat; Banerjee, Priyabrata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 14712 - 14722
• a: 13.235 ± 0.006 Å
• b: 17.92 ± 0.006 Å
• c: 21.486 ± 0.008 Å
• α: 90°
• β: 100.161 ± 0.017°
• γ: 90°
• Cell volume: 5016 ± 3 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 150.73 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No