Information card for entry 2206661

Structure parameters

• Formula: C34 H58 N8 Ni O16
• Calculated formula: C34 H58 N8 Ni O16
• SMILES: O=N(=O)[O-].O.[Ni]12(Oc3ccc(cc3C=[N]1CCC[NH2+]C1CCCCC1)N(=O)=O)([N](=Cc1c(ccc(c1)N(=O)=O)O2)CCC[NH2+]C1CCCCC1)([OH]C)[OH]C.N(=O)(=O)[O-].O
• Title of publication: Bis{2-[3-(cyclohexylaminio)propyliminomethyl]-4-nitrophenolato}dimethanolnickel(II) dinitrate dihydrate
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1807 - m1809
• a: 12.428 ± 0.001 Å
• b: 8.755 ± 0.001 Å
• c: 20.048 ± 0.001 Å
• α: 90°
• β: 104.2 ± 0.01°
• γ: 90°
• Cell volume: 2114.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes