Information card for entry 2008633

Structure parameters

• Formula: C24 H40 Cl16 N12 Ti3
• Calculated formula: C24 H40 Cl16 N12 Ti3
• SMILES: c1[n]([Ti](Cl)(Cl)(Cl)(Cl)Cl)cn(C)c1.c1[nH]cc[n+]1C.c1[nH]cc[n+]1C.[Ti](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].c1[n](ccn1C)[Ti](Cl)(Cl)(Cl)(Cl)Cl.c1[nH]cc[n+]1C.c1[nH]cc[n+]1C
• Title of publication: Addition compounds of titanium tetrachloride with aromatic nitrogen bases
• Authors of publication: Hensen, Karl; Lemke, Alexander; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 863 - 867
• a: 7.8998 ± 0.0002 Å
• b: 9.9722 ± 0.0003 Å
• c: 16.0448 ± 0.0005 Å
• α: 107.54 ± 0.001°
• β: 93.784 ± 0.001°
• γ: 99.551 ± 0.001°
• Cell volume: 1179.43 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0829
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No