Information card for entry 8106579

Structure parameters

• Common name: dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II)dihydrate
• Chemical name: dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II)dihydrate
• Formula: C18 H16 Cl2 N6 Ni O2
• Calculated formula: C18 H16 Cl2 N6 Ni O2
• SMILES: [Ni]12(Cl)(Cl)([n]3c(c4nc(nc([n]14)c1[n]2cccc1)c1ncccc1)cccc3)[OH2].O
• Title of publication: Crystal structure of aquadichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ3 N,N′,N′′)nickel(II) monohydrate, C18H16Cl2N6NiO2
• Authors of publication: Yağci, Nermin Kahveci; Güven, Kutalmış; Yildiz, Gökçen Dikici
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 485 - 487
• a: 8.5737 ± 0.0006 Å
• b: 11.4177 ± 0.0009 Å
• c: 20.3031 ± 0.0016 Å
• α: 90°
• β: 99.309 ± 0.003°
• γ: 90°
• Cell volume: 1961.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No