Information card for entry 2012370

Structure parameters

• Chemical name: {N-[Dimethyl(η^5^-1,2,5,7-tetramethylindenyl)silyl]cyclobutylamido-κN}- (η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)
• Formula: C35 H41 N Si Ti
• Calculated formula: C35 H41 N Si Ti
• SMILES: [Ti]1234([c]56C)([c]57C)([c]65c(cc(c8)C)C)([c]568)([c]67[Si](C)(C)N1C1CCC1)[CH](=[CH]2[CH]3=[CH]4c1ccccc1)c1ccccc1
• Title of publication: {<i>N</i>-[Dimethyl(η^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-κ<i>N</i>}(η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)
• Authors of publication: Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1408 - 1409
• a: 11.0726 ± 0.0006 Å
• b: 20.509 ± 0.001 Å
• c: 13.9311 ± 0.0008 Å
• α: 90°
• β: 112.02 ± 0.001°
• γ: 90°
• Cell volume: 2932.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0937
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes