Information card for entry 2215861

Structure parameters

• Chemical name: Triaquachloridobis[4-(dimethylamino)benzaldehyde-κO]nickel(II) chloride
• Formula: C18 H28 Cl2 N2 Ni O5
• Calculated formula: C18 H28 Cl2 N2 Ni O5
• SMILES: [Ni](Cl)([O]=Cc1ccc(N(C)C)cc1)([O]=Cc1ccc(N(C)C)cc1)([OH2])([OH2])[OH2].[Cl-]
• Title of publication: Triaquachloridobis[4-(dimethylamino)benzaldehyde-κ<i>O</i>]nickel(II) chloride
• Authors of publication: Qiang Wang; Daqi Wang; Yuying Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2819 - m2819
• a: 11.632 ± 0.003 Å
• b: 7.5534 ± 0.0019 Å
• c: 25.704 ± 0.006 Å
• α: 90°
• β: 102.87 ± 0.03°
• γ: 90°
• Cell volume: 2201.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes