Information card for entry 4131178

Structure parameters

• Formula: C46 H58 N4 P S2 V
• Calculated formula: C46 H57.2406 N4 P S2 V
• Title of publication: Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.
• Authors of publication: Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16220 - 16223
• a: 14.6897 ± 0.0007 Å
• b: 11.2855 ± 0.0006 Å
• c: 26.2745 ± 0.0013 Å
• α: 90°
• β: 92.616 ± 0.001°
• γ: 90°
• Cell volume: 4351.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No