Information card for entry 4124130

Structure parameters

• Formula: C70 H114 K N5 O8 P2 Ti
• Calculated formula: C70 H114 K N5 O8 P2 Ti
• 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: 25.3813 ± 0.001 Å
• b: 12.6995 ± 0.0005 Å
• c: 25.1244 ± 0.0009 Å
• α: 90°
• β: 116.765 ± 0.002°
• γ: 90°
• Cell volume: 7230.7 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No