Information card for entry 4109129

Structure parameters

• Formula: C32 H58 Al2 N2 P2 Ti
• Calculated formula: C32 H58 Al2 N2 P2 Ti
• SMILES: [Ti]12([P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)(C)=[N]1[Al]([CH3][Al]1(C)C)(C)C
• Title of publication: Snapshots of an Alkylidyne for Nitride Triple-Bond Metathesis
• Authors of publication: Brad C. Bailey; Alison R. Fout; Hongjun Fan; John Tomaszewski; John C. Huffman; J. Brannon Gary; Marc J. A. Johnson; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2234 - 2235
• a: 11.0567 ± 0.0008 Å
• b: 18.3297 ± 0.0013 Å
• c: 18.4304 ± 0.0014 Å
• α: 81.664 ± 0.002°
• β: 87.757 ± 0.002°
• γ: 89.504 ± 0.002°
• Cell volume: 3692.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No