Information card for entry 7025511

Structure parameters

• Formula: C6 H18 As Cl4 N3 Ti
• Calculated formula: C6 H18 As Cl4 N3 Ti
• SMILES: C[N]1(C)[Ti]([N](C)(C)[As]1Cl)(N(C)C)(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: 9.5866 ± 0.0016 Å
• b: 15.623 ± 0.003 Å
• c: 9.8386 ± 0.0016 Å
• α: 90°
• β: 92.562 ± 0.003°
• γ: 90°
• Cell volume: 1472.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No