Information card for entry 4516585

Structure parameters

• Common name: 19019
• Formula: C28.5 H39 Br4 Cl N6 Ti2
• Calculated formula: C28.5 H39 Br4 Cl N6 Ti2
• Title of publication: Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides
• Authors of publication: Beaumier, Evan P.; McGreal, Meghan E.; Pancoast, Adam R.; Wilson, R. Hunter; Moore, James T.; Graziano, Brendan J.; Goodpaster, Jason D.; Tonks, Ian A.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11753
• a: 24.481 ± 0.002 Å
• b: 9.2829 ± 0.0007 Å
• c: 32.174 ± 0.003 Å
• α: 90°
• β: 103.789 ± 0.003°
• γ: 90°
• Cell volume: 7101 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No