Information card for entry 7109272

Structure parameters

• Formula: C98 H146 N4 P8
• Calculated formula: C98 H146 N4 P8
• SMILES: C1(C2(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)CCCCC2)=PP1P(P=C2C3(CC(C)(C)N2c2c(cccc2C(C)C)C(C)C)CCCCC3)P(P=C2C3(CC(C)(C)N2c2c(cccc2C(C)C)C(C)C)CCCCC3)P1P=C1C2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)CCCCC2.c1ccccc1
• Title of publication: Exploring the reactivity of white phosphorus with electrophilic carbenes: synthesis of a P4 cage and P8 clusters
• Authors of publication: Caleb D. Martin; Cory M. Weinstein; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4486
• a: 12.0923 ± 0.0012 Å
• b: 29.578 ± 0.003 Å
• c: 53.934 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19290 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No