Information card for entry 2005805

Structure parameters

• Common name: 2-(Phenylamino)pyridinium tetrachloro-2-(phenylamido)pyridinetitanate(IV)
• Chemical name: 2-(Phenylamino)pyridinium tetrachloro(2-phenylaminopyridinato)titanate(IV)
• Formula: C22 H20 Cl4 N4 Ti
• Calculated formula: C22 H20 Cl4 N4 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)(Cl)[n]2c(cccc2)N1c1ccccc1.[nH+]1c(cccc1)Nc1ccccc1
• Title of publication: Tetrachloro[2-(phenylamino)pyridinato]titanate(IV) with a 2-(Phenylamino)pyridinium Counterion
• Authors of publication: Polamo, M.; Leskelä, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2975 - 2977
• a: 9.58 ± 0.015 Å
• b: 9.652 ± 0.012 Å
• c: 14.625 ± 0.019 Å
• α: 94.18 ± 0.13°
• β: 90.27 ± 0.15°
• γ: 118.44 ± 0.09°
• Cell volume: 1185 ± 3 ų
• Cell temperature: 193 ± 1 K
• Ambient diffraction temperature: 193 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.1359
• Weighted residual factors for significantly intense reflections: 0.1248
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No