Information card for entry 7707643

Structure parameters

• Chemical name: iMOF-4C
• Formula: C66 H48 N12 Zn
• Calculated formula: C66 H48 N12 Zn
• Title of publication: A luminescent cationic MOF for bimodal recognition of chromium and arsenic based oxo-anions in water.
• Authors of publication: Dutta, Subhajit; Let, Sumanta; Shirolkar, Mandar M.; Desai, Aamod V.; Samanta, Partha; Fajal, Sahel; More, Yogeshwar D.; Ghosh, Sujit K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10133 - 10141
• a: 18.7016 ± 0.0016 Å
• b: 18.7016 ± 0.0016 Å
• c: 23.159 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7014.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No