Information card for entry 2217201

Structure parameters

• Chemical name: Di-μ-chlorido-bis[dichlorido(N,N-diethylacetamidinato)(N,N- diethylacetamidine)titanium(IV)] acetonitrile disolvate
• Formula: C28 H60 Cl6 N10 Ti2
• Calculated formula: C28 H60 Cl6 N10 Ti2
• SMILES: C(C)(=[NH][Ti]1(N=C(C)N(CC)CC)([Cl][Ti](N=C(C)N(CC)CC)([NH]=C(C)N(CC)CC)([Cl]1)(Cl)Cl)(Cl)Cl)N(CC)CC.N#CC.N#CC
• Title of publication: Di-μ-chlorido-bis[dichlorido(<i>N</i>,<i>N</i>-diethylacetamidinato)(<i>N</i>,<i>N</i>-diethylacetamidine)titanium(IV)] acetonitrile disolvate
• Authors of publication: Straessler, Nicholas A.; Caudle, M. Tyler; Groy, Thomas L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m20 - m20
• a: 9.6217 ± 0.0006 Å
• b: 11.1812 ± 0.0007 Å
• c: 11.2298 ± 0.0008 Å
• α: 95.68 ± 0.001°
• β: 105.192 ± 0.001°
• γ: 106.938 ± 0.001°
• Cell volume: 1095.03 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes