Information card for entry 4307513

Structure parameters

• Common name: (salen)Zn(EtOH)EtOH
• Formula: C40 H58 N2 O4 Zn
• Calculated formula: C40 H58 N2 O4 Zn
• SMILES: CC(C)(C)c1cc(C(C)(C)C)cc2c1O[Zn]13([N](=C2)c2ccccc2[N]1=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)OCC.C(C)O
• Title of publication: Fluorescent Detection of Nitroaromatics and 2,3-Dimethyl- 2,3-dinitrobutane (DMNB) by a Zinc Complex: (salophen)Zn
• Authors of publication: Meaghan E. Germain; Thomas R. Vargo; Peter G. Khalifah; Michael J. Knapp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4422 - 4429
• a: 13.1292 ± 0.0003 Å
• b: 24.9288 ± 0.0005 Å
• c: 11.6353 ± 0.0002 Å
• α: 90°
• β: 91.483 ± 0.001°
• γ: 90°
• Cell volume: 3806.9 ± 0.13 ų
• Cell temperature: 126 K
• Ambient diffraction temperature: 126 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: 0.1014
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No