Information card for entry 2218665

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)bis(pyridine- κ<i>N</i>)nickel(II)]-μ-tetrafluoroterephthalato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C20 H18 F4 N2 Ni O6
• Calculated formula: C20 H18 F4 N2 Ni O6
• SMILES: [Ni]([OH]C)([OH]C)([n]1ccccc1)([n]1ccccc1)OC(=O)c1c(F)c(F)c(c(F)c1F)C(=O)O[Ni](OC(=O)c1c(F)c(F)c(C(=O)[O-])c(F)c1F)([OH]C)([OH]C)([n]1ccccc1)[n]1ccccc1
• Title of publication: <i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)bis(pyridine-κ<i>N</i>)nickel(II)]-μ-tetrafluoroterephthalato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Zheng, Chang-Ge; Hong, Jian-Quan; Zhang, Jie; Wang, Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m879
• a: 7.9159 ± 0.0007 Å
• b: 8.8846 ± 0.0008 Å
• c: 9.0219 ± 0.0014 Å
• α: 100.442 ± 0.009°
• β: 101.559 ± 0.009°
• γ: 114.396 ± 0.006°
• Cell volume: 540.78 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes