Information card for entry 8103147

Structure parameters

• Formula: C17 H26 Cl2 N2 O2 Zn
• Calculated formula: C17 H26 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)[N](=Cc2c(O1)cc(OC)cc2)CCC[NH2+]C1CCCCC1
• Title of publication: Crystal structure of dichloro-2-[(3-cyclohexylamino-propylimino)-methyl]-5-methoxyphenolatozinc(II), Zn(C17H26N2O2)Cl2
• Authors of publication: Shu-Jing Li; Ke Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 319
• a: 25.102 ± 0.004 Å
• b: 10.5404 ± 0.0018 Å
• c: 14.994 ± 0.002 Å
• α: 90°
• β: 91.445 ± 0.002°
• γ: 90°
• Cell volume: 3965.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No