Information card for entry 7009859

Structure parameters

• Chemical name: Oxobis[trichlorobis(seleninylchloride)titanium(IV)] dichloromethane solvate
• Formula: C H2 Cl16 O5 Se4 Ti2
• Calculated formula: C H2 Cl16 O5 Se4 Ti2
• Title of publication: Reactivity of SeOCl2 with titanium and zirconium tetrachlorides. The unexpected formation of a μ-oxo-bridged titanium(IV) derivative
• Authors of publication: Fausto Calderazzo; Michele D'Attoma; Fabio Marchetti; Guido Pampaloni
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2497 - 2498
• a: 12.753 ± 0.001 Å
• b: 8.495 ± 0.0005 Å
• c: 13.35 ± 0.001 Å
• α: 90°
• β: 95.58 ± 0.02°
• γ: 90°
• Cell volume: 1439.44 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No