Information card for entry 4307514

Structure parameters

• Common name: (salen)Zn(THF)
• Formula: C40 H54 N2 O3 Zn
• Calculated formula: C40 H54 N2 O3 Zn
• SMILES: [Zn]123(Oc4c(C=[N]2c2c([N]1=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)cccc2)cc(cc4C(C)(C)C)C(C)(C)C)[O]1CCCC1
• 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: 10.96 ± 0.0004 Å
• b: 13.067 ± 0.0005 Å
• c: 13.154 ± 0.0005 Å
• α: 91.943 ± 0.002°
• β: 104.094 ± 0.002°
• γ: 92.054 ± 0.002°
• Cell volume: 1824.19 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No