Information card for entry 7237227

Structure parameters

• Formula: C26 H29 N7 O13 Zn2
• Calculated formula: C26 H27 N7 O13 Zn2
• Title of publication: A highly emissive fluorescent Zn-MOF: molecular decoding strategies for solvents and trace detection of dunnite in water
• Authors of publication: Das, Prasenjit; Mandal, Sanjay K.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 43
• Pages of publication: 21274
• a: 14.7622 ± 0.0012 Å
• b: 14.6228 ± 0.0012 Å
• c: 14.8907 ± 0.0013 Å
• α: 90°
• β: 103.074 ± 0.005°
• γ: 90°
• Cell volume: 3131.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No