Information card for entry 2001157

Structure parameters

• Chemical name: trans-tetrachlorobis(hexamethylphosphoric triamide)titanium
• Formula: C12 H36 Cl4 N6 O2 P2 Ti
• Calculated formula: C12 H36 Cl4 N6 O2 P2 Ti
• SMILES: [O](=P(N(C)C)(N(C)C)N(C)C)[Ti](Cl)(Cl)([O]=P(N(C)C)(N(C)C)N(C)C)(Cl)Cl
• Title of publication: Structure of monomeric [TiCl~4~(hexamethylphosphoric triamide)~2~]
• Authors of publication: Clegg, W.; O'Neil, P. A.; Henderson, K. W.; Mulvey, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2108 - 2109
• a: 8.737 ± 0.003 Å
• b: 10.096 ± 0.004 Å
• c: 14.093 ± 0.006 Å
• α: 90°
• β: 96.05 ± 0.03°
• γ: 90°
• Cell volume: 1236.2 ± 0.8 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 0.5 K
• Number of distinct elements: 7
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections: 0.226
• Goodness-of-fit parameter for all reflections: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No