Information card for entry 2311548

Structure parameters

• Common name: 2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride
• Formula: C15 H14 Cl5 N3 Ni
• Calculated formula: C15 H14 Cl5 N3 Ni
• SMILES: [nH+]1ccccc1c1[nH+]c(ccc1)c1[nH+]cccc1.[Ni](Cl)(Cl)([Cl-])[Cl-].[Cl-]
• Title of publication: Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.
• Authors of publication: Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1937 - 1941
• a: 6.689 ± 0.005 Å
• b: 13.809 ± 0.005 Å
• c: 10.62 ± 0.005 Å
• α: 90°
• β: 101.271 ± 0.005°
• γ: 90°
• Cell volume: 962 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No