Information card for entry 4503956

Structure parameters

• Formula: C34 H42 N4 O7 Zn
• Calculated formula: C34 H42 N4 O7 Zn
• SMILES: [Zn]12([O]=C(O1)c1ccc(N(C)C)cc1)(OC(=O)c1ccc(N(C)C)cc1)([n]1cccc3c1c1[n]2cccc1cc3)[OH2].OCC.OCC
• 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: 14.631 ± 0.005 Å
• b: 15.568 ± 0.005 Å
• c: 16.065 ± 0.005 Å
• α: 90 ± 0.005°
• β: 114.475 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3330.4 ± 1.9 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: 0.1775
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2317
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No