Information card for entry 2007349

Structure parameters

• Formula: C36 H48 N4 O5 Zn
• Calculated formula: C36 H48 N4 O5 Zn
• SMILES: [Zn]12([OH2])([O]=C(c3c(n(nc3C)c3ccccc3)O1)CCCCCCC)[O]=C(c1c(n(nc1C)c1ccccc1)O2)CCCCCCC
• Title of publication: Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)
• Authors of publication: Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 776 - 779
• a: 10.181 ± 0.005 Å
• b: 13.047 ± 0.007 Å
• c: 14.751 ± 0.007 Å
• α: 101.6 ± 0.03°
• β: 101.9 ± 0.04°
• γ: 99.86 ± 0.05°
• Cell volume: 1831.3 ± 1.7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 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: 0.0965
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.1166
• Goodness-of-fit parameter for all reflections: 0.968
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No