Information card for entry 8101908

Structure parameters

• Chemical name: trans-bis(triphenylphospine oxide)tetrachlorotitanum(IV)
• Formula: C36 H30 Cl4 O2 P2 Ti
• Calculated formula: C36 H30 Cl4 O2 P2 Ti
• Title of publication: Crystal structure of trans-bis(triphenylphospine oxide)-tetrachlorotitanum (IV), TiCl~4~[(C~6~H~5~)~3~PO]~2~
• Authors of publication: Li, M.-F.; Shan, Y.-K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 41 - 42
• a: 9.492 ± 0.0013 Å
• b: 9.6398 ± 0.0013 Å
• c: 10.4285 ± 0.0013 Å
• α: 102.1 ± 0.002°
• β: 108.657 ± 0.002°
• γ: 92.652 ± 0.002°
• Cell volume: 877.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No