Information card for entry 7038436

Structure parameters

• Formula: C40 H47 N2 P
• Calculated formula: C40 H47 N2 P
• Title of publication: Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.
• Authors of publication: Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9860 - 9870
• a: 10.7803 ± 0.0002 Å
• b: 16.7651 ± 0.0003 Å
• c: 39.0845 ± 0.0006 Å
• α: 90°
• β: 95.7606 ± 0.0009°
• γ: 90°
• Cell volume: 7028.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No