Information card for entry 4124131

Structure parameters

• Formula: C110 H160 K2 N6 O2 P4 Ti2
• Calculated formula: C110 H160 K2 N6 O2 P4 Ti2
• Title of publication: Mononuclear and Terminally Bound Titanium Nitrides.
• Authors of publication: Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 28
• Pages of publication: 8884 - 8887
• a: 25.354 ± 0.0006 Å
• b: 32.8324 ± 0.0008 Å
• c: 12.7608 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10622.5 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No