Information card for entry 4307515

Structure parameters

• Common name: (salen)Zn(py)
• Formula: C41 H51 N3 O2 Zn
• Calculated formula: C41 H51 N3 O2 Zn
• SMILES: c12O[Zn]34([N](=Cc1cc(C(C)(C)C)cc2C(C)(C)C)c1ccccc1[N]4=Cc1c(c(C(C)(C)C)cc(C(C)(C)C)c1)O3)[n]1ccccc1
• 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: 15.4018 ± 0.0002 Å
• b: 10.4556 ± 0.0001 Å
• c: 23.1113 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3721.73 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No