Information card for entry 4503954

Structure parameters

• Formula: C33 H31 N4 O4 Zn
• Calculated formula: C33 H31 N4 O4 Zn
• SMILES: c12c3[n]4cccc3ccc2ccc[n]1[Zn]14([O]=C(O1)c1ccc(N(C)C)cc1)OC(=O)c1ccc(N(C)C)cc1.c1ccccc1
• 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: 36.917 ± 0.005 Å
• b: 10.959 ± 0.005 Å
• c: 14.071 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.777 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5573 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No