Information card for entry 7702370

Structure parameters

• Common name: tripicolinium nitrate sulphate
• Chemical name: tris-2-methylpiridinium nitrate sulphate
• Formula: C18 H21 N5 O7 S
• Calculated formula: C18 H21 N3.6666 O6.3333 S0.3333
• Title of publication: Synthesis and structural characterisation of Group I and II metal complexes involving the ligand tris(2-pyridylmethyl)amine
• Authors of publication: Hazell, Alan; McGinley, John; Toftlund, Hans
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 1271
• a: 12.6301 ± 0.0004 Å
• b: 12.6301 ± 0.0004 Å
• c: 12.6301 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2014.75 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 3.64
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No