Information card for entry 2004336

Structure parameters

• Chemical name: Racemic cis-dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)
• Formula: C22 H38 Cl2 O4 Ti
• Calculated formula: C22 H38 Cl2 O4 Ti
• Title of publication: Racemic <i>cis</i>-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)
• Authors of publication: Glidewell, C.; Turner, G. M.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 11 - 14
• a: 18.028 ± 0.002 Å
• b: 18.173 ± 0.003 Å
• c: 18.856 ± 0.003 Å
• α: 90°
• β: 113.985 ± 0.011°
• γ: 90°
• Cell volume: 5644.2 ± 1.5 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.2081
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.2157
• Weighted residual factors for significantly intense reflections: 0.1796
• Goodness-of-fit parameter for all reflections: 0.884
• Goodness-of-fit parameter for significantly intense reflections: 1.376
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No