Information card for entry 7025509

Structure parameters

• Formula: C18 H15 As Cl4 Ti
• Calculated formula: C18 H15 As Cl4 Ti
• SMILES: c1(ccccc1)[As](c1ccccc1)(c1ccccc1)[Ti](Cl)(Cl)(Cl)Cl
• Title of publication: Syntheses, X-ray structures and CVD of titanium(IV) arsine complexes.
• Authors of publication: Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5325 - 5331
• a: 9.5026 ± 0.0019 Å
• b: 11.324 ± 0.002 Å
• c: 18.683 ± 0.004 Å
• α: 90°
• β: 92.501 ± 0.004°
• γ: 90°
• Cell volume: 2008.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No