Information card for entry 2004754

Structure parameters

• Chemical name: fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuroxide)titanium(IV)
• Formula: C9 H17 Cl3 O3 Ti
• Calculated formula: C9 H17 Cl3 O3 Ti
• Title of publication: Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)
• Authors of publication: Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 847 - 850
• a: 9.074 ± 0.008 Å
• b: 12.553 ± 0.009 Å
• c: 15.65 ± 0.02 Å
• α: 90°
• β: 131.06 ± 0.12°
• γ: 90°
• Cell volume: 1344 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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 significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0629
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No