Information card for entry 2203286

Structure parameters

• Formula: C26 H34 Cl2 N8 Ni O4
• Calculated formula: C28 H34 Cl2 N6 Ni O4
• SMILES: c1c2C/C(=C/c3c(cccc3)N)O[Ni]3([n]2[nH]c1C)([OH]C)([n]1c(cc([nH]1)C)CC(=C\c1c(cccc1)N)\O3)[OH]C.[Cl-].[Cl-]
• Title of publication: (<i>N</i>-2-Aminophényl-5-méthylpyrazolylacétamide)nickel(II) dimethanole dichlorure
• Authors of publication: Sbai, S.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m250 - m252
• a: 8.2631 ± 0.0007 Å
• b: 9.71 ± 0.001 Å
• c: 10.957 ± 0.001 Å
• α: 75.81 ± 0.005°
• β: 69.703 ± 0.007°
• γ: 77.549 ± 0.007°
• Cell volume: 791.1 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes