Information card for entry 4332557

Structure parameters

• Formula: C28 H30 N4 O5 Zn
• Calculated formula: C28 H30 N4 O5 Zn
• SMILES: [Zn]1(OC(=O)c2ccc(N(C)C)cc2)(OC(=O)c2ccc(N(C)C)cc2)([OH2])[n]2ccccc2c2[n]1cccc2
• Title of publication: Self-Assembly of a Luminescent Zinc(II) Complex: a Supramolecular Host−Guest Fluorescence Signaling System for Selective Nitrobenzene Inclusion
• Authors of publication: Das, Sanjib; Bharadwaj, Parimal K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5257 - 5259
• a: 9.98 ± 0.003 Å
• b: 26.47 ± 0.008 Å
• c: 10.918 ± 0.003 Å
• α: 90°
• β: 111.561 ± 0.005°
• γ: 90°
• Cell volume: 2682.4 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No