Information card for entry 7103412

Structure parameters

• Formula: C47 H79 Br2 Li N O3 P
• Calculated formula: C47 H79 Br2 Li N O3 P
• Title of publication: A persistent P,N-heterocyclic carbene.
• Authors of publication: Frey, Guido D; Song, Maoying; Bourg, Jean-Baptiste; Donnadieu, Bruno; Soleilhavoup, Michele; Bertrand, Guy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4711 - 4713
• a: 10.9613 ± 0.0013 Å
• b: 14.7848 ± 0.0018 Å
• c: 16.2547 ± 0.0019 Å
• α: 99.99 ± 0.002°
• β: 108.109 ± 0.002°
• γ: 97.624 ± 0.002°
• Cell volume: 2416.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No