Information card for entry 8102163

Structure parameters

• Chemical name: bis(2-(2,6-diisopropyl-phenylamino)-6-(2,4,6-triisopropylphenyl)-pyridinium) hexachloro-titanate(IV) toluene solvate
• Formula: C71 H98 Cl6 N4 Ti
• Calculated formula: C71 H98 Cl6 N4 Ti
• Title of publication: Crystal structure of bis(2-(2,6-diisopropyl-phenylamino)-6-(2,4,6- triisopropylphenyl)-pyridinium) hexachlorotitanate(IV) toluene solvate, (C~32~H~45~N~2~)~2~[TiCl~6~] · C~7~H~8~
• Authors of publication: Dietel, Anna M.; Irrgang, Torsten; Glatz, Germund; Karthikeyan, Sangeetha; Kempe, Rhett
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 284 - 286
• a: 14.273 ± 0.003 Å
• b: 14.778 ± 0.003 Å
• c: 16.97 ± 0.003 Å
• α: 90°
• β: 103.21 ± 0.03°
• γ: 90°
• Cell volume: 3484.7 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No