Information card for entry 7034190

Structure parameters

• Formula: C45 H30 Cd2.5 N2 O13
• Calculated formula: C42 H26 Cd2.5 N2 O13
• Title of publication: Novel metal-organic framework with tunable fluorescence property: supramolecular signaling platform for polynitrophenolics.
• Authors of publication: Venkateswarulu, M.; Pramanik, Avijit; Koner, Rik Rani
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6348 - 6352
• a: 14.6163 ± 0.0003 Å
• b: 23.1639 ± 0.0004 Å
• c: 15.7113 ± 0.0004 Å
• α: 90°
• β: 108.061 ± 0.003°
• γ: 90°
• Cell volume: 5057.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No