Information card for entry 7222276

Structure parameters

• Formula: C14 H12 N2 Ni O6
• Calculated formula: C14 H12 N2 Ni O6
• SMILES: O[N]1=Cc2ccc(O)cc2O[Ni]21Oc1c(C=[N]2O)ccc(O)c1
• Title of publication: Study on divalent copper, nickel and zinc model complexes for fluoride ions detection
• Authors of publication: Baruah, Jubaraj Bikash; Tarai, Arup
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.8784 ± 0.0008 Å
• b: 7.0931 ± 0.0008 Å
• c: 27.221 ± 0.003 Å
• α: 90°
• β: 90.61 ± 0.003°
• γ: 90°
• Cell volume: 1328 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No