Information card for entry 4109128

Structure parameters

• Formula: C31.5 H55 Cl N2 P2 Si Ti
• Calculated formula: C31.5 H55 Cl N2 P2 Si Ti
• 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: 11.655 ± 0.002 Å
• b: 41.822 ± 0.008 Å
• c: 14.864 ± 0.003 Å
• α: 90°
• β: 94.14 ± 0.03°
• γ: 90°
• Cell volume: 7226 ± 2 ų
• Cell temperature: 126 ± 2 K
• Ambient diffraction temperature: 126 ± 2 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: 0.0672
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No