Information card for entry 2219084

Structure parameters

• Chemical name: cis-Aquabis(2,4-dichloro-6-formylphenolato-κ^2^O,O')(N,N-dimethylformamide- κO)nickel(II)
• Formula: C17 H15 Cl4 N Ni O6
• Calculated formula: C17 H15 Cl4 N Ni O6
• SMILES: [Ni]12([O]=Cc3c(O1)c(Cl)cc(Cl)c3)([O]=Cc1c(O2)c(Cl)cc(Cl)c1)([OH2])[O]=CN(C)C
• Title of publication: <i>cis</i>-Aquabis(2,4-dichloro-6-formylphenolato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)
• Authors of publication: Chen, Fa-Yun; Zhang, Shu-Hua; Ge, Chen-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1068
• a: 10.404 ± 0.002 Å
• b: 9.613 ± 0.0019 Å
• c: 22.161 ± 0.004 Å
• α: 90°
• β: 92.44 ± 0.03°
• γ: 90°
• Cell volume: 2214.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes