Information card for entry 7019908

Structure parameters

• Formula: C36 H47 Cl4 N5 Ti
• Calculated formula: C36 H47 Cl4 N5 Ti
• SMILES: C(Cl)Cl.c1(n(ccn1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[N]1C(C)=[N](c2c(cccc2C)C)[Ti]1(Cl)(Cl)=NC(C)(C)C
• Title of publication: Titanium(iv) imido complexes of imine imidazol-2-imine ligands.
• Authors of publication: Dastgir, Sarim; Lavoie, Gino G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9651 - 9658
• a: 15.0882 ± 0.0007 Å
• b: 14.983 ± 0.0004 Å
• c: 17.1533 ± 0.0009 Å
• α: 90°
• β: 100.812 ± 0.002°
• γ: 90°
• Cell volume: 3808.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.1574
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No