Information card for entry 7107266

Structure parameters

• Formula: C43 H55 Cl N3 Ti
• Calculated formula: C43 H55 Cl N3 Ti
• Title of publication: A four coordinate parent imide via a titanium nitridyl
• Authors of publication: Ba L. Tran; Marlena P. Washington; Xinfeng Gao; Maren Pink; Daniel J. Mindiola
• Journal of publication: Chem. Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1529
• a: 10.6177 ± 0.001 Å
• b: 33.391 ± 0.003 Å
• c: 11.5326 ± 0.0011 Å
• α: 90°
• β: 107.582 ± 0.002°
• γ: 90°
• Cell volume: 3897.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No