Information card for entry 4503953

Structure parameters

• Formula: C30 H30 N4 O5 Zn
• Calculated formula: C30 H30 N4 O5 Zn
• SMILES: [Zn]1([OH2])(OC(=O)c2ccc(N(C)C)cc2)(OC(=O)c2ccc(N(C)C)cc2)[n]2cccc3c2c2[n]1cccc2cc3
• Title of publication: Supramolecular Host−Guest Systems of Luminescent Zn(II) Complexes with Benzene, Nitrobenzene, and Ethanol: Selectivity of Guest Inclusion and Solid-State Fluorescence Modulation Studies
• Authors of publication: Das, Sanjib; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1192
• a: 15.0153 ± 0.0018 Å
• b: 14.9868 ± 0.0018 Å
• c: 13.0646 ± 0.0016 Å
• α: 90°
• β: 114.005 ± 0.002°
• γ: 90°
• Cell volume: 2685.7 ± 0.6 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: 0.0478
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No