Information card for entry 2217260

Structure parameters

• Chemical name: [3-Chloro-6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)\ picolinato](pyridine-2,6-dicarboxylato)nickel(II) dihydrate
• Formula: C18 H16 Cl N4 Ni O8
• Calculated formula: C18 H16 Cl N4 Ni O8
• Title of publication: [3-Chloro-6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)picolinato](pyridine-2,6-dicarboxylato)nickel(II) dihydrate
• Authors of publication: Feng, Yu; Zhao, Kai; Yin, Xian-Hong; Zhu, Jie; Lin, Cui-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m191 - m191
• a: 7.6267 ± 0.0012 Å
• b: 11.3464 ± 0.0015 Å
• c: 13.249 ± 0.002 Å
• α: 109.607 ± 0.003°
• β: 91.782 ± 0.002°
• γ: 101.095 ± 0.002°
• Cell volume: 1054.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes