Information card for entry 2203068

Structure parameters

• Chemical name: cis-Diaquabis[2-(hydroxymethyl)pyridine]nickel(II) dichloride
• Formula: C12 H18 Cl2 N2 Ni O4
• Calculated formula: C12 H18 Cl2 N2 Ni O4
• SMILES: [Ni]12([OH]Cc3[n]1cccc3)([OH]Cc1[n]2cccc1)([OH2])[OH2].[Cl-].[Cl-]
• Title of publication: <i>cis</i>-Diaquabis[2-(hydroxymethyl)pyridine]nickel(II) dichloride
• Authors of publication: Hamamci, S.; Yilmaz, Veysel T.; Thöne, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m6 - m8
• a: 20.0943 ± 0.0018 Å
• b: 7.609 ± 0.0006 Å
• c: 12.1268 ± 0.001 Å
• α: 90°
• β: 121.708 ± 0.003°
• γ: 90°
• Cell volume: 1577.4 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0208
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes