Information card for entry 1544184

Structure parameters

• Formula: C110 H176 N6 P6 Ti2
• Calculated formula: C110 H176 N6 P6 Ti2
• Title of publication: Molecular titanium nitrides: nucleophiles unleashed.
• Authors of publication: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1209 - 1224
• a: 18.5929 ± 0.0008 Å
• b: 12.9042 ± 0.0005 Å
• c: 22.7421 ± 0.0014 Å
• α: 90°
• β: 98.499 ± 0.002°
• γ: 90°
• Cell volume: 5396.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No