Information card for entry 2226116

Structure parameters

• Chemical name: Bis(μ-4-fluoro-2,6-diformylphenolato)bis[diaquanickel(II)] dichloride
• Formula: C16 H16 Cl2 F2 Ni2 O10
• Calculated formula: C16 H16 Cl2 F2 Ni2 O10
• SMILES: C1c2cc(cc3C=[O][Ni]45([O](c23)[Ni]2([O]4c3c(C=[O]5)cc(cc3C=[O]2)F)([O]=1)([OH2])[OH2])([OH2])[OH2])F.[Cl-].[Cl-]
• Title of publication: Bis(μ-4-fluoro-2,6-diformylphenolato)bis[diaquanickel(II)] dichloride
• Authors of publication: Zheng, Yin; Li, Shi-Rong; Zhou, Hong; Pan, Zhi-Quan; Li, Yi-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m668
• a: 8.3299 ± 0.0014 Å
• b: 13.576 ± 0.002 Å
• c: 9.9965 ± 0.0017 Å
• α: 90°
• β: 114.623 ± 0.003°
• γ: 90°
• Cell volume: 1027.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes