Information card for entry 2203702

Structure parameters

• Chemical name: trans-Bis{2-[3-(Cyclohexylamino)propyliminomethyl]phenolato}nickel(II) dinitrate
• Formula: C32 H48 N6 Ni O8
• Calculated formula: C32 H48 N6 Ni O8
• SMILES: c12C=[N]([Ni]3(Oc1cccc2)[N](=Cc1c(cccc1)O3)CCC[NH2+]C1CCCCC1)CCC[NH2+]C1CCCCC1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato}nickel(II) dinitrate
• Authors of publication: You, Zhong-Lu; Lin, Yong-Shan; Zhu, Hai-Liang; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m887 - m889
• a: 6.444 ± 0.002 Å
• b: 22.946 ± 0.005 Å
• c: 11.961 ± 0.002 Å
• α: 90°
• β: 102.02 ± 0.03°
• γ: 90°
• Cell volume: 1729.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1186
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes