Information card for entry 4318636

Structure parameters

• Formula: C42 H54 P2
• Calculated formula: C42 H54 P2
• SMILES: P(=Pc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and Structural Characterizations of the Unsymmetrical Diphosphene DmpPPMes* (Dmp = 2,6-Mes2C6H3, Mes* = 2,4,6-tBu3C6H2) and the Cyclotetraphosphane [DmpPPPh]2
• Authors of publication: Rhett C. Smith; Eugenijus Urnezius; Kin-Chung Lam; Arnold L. Rheingold; John D. Protasiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5296 - 5299
• a: 12.2774 ± 0.0002 Å
• b: 13.1536 ± 0.0002 Å
• c: 14.4521 ± 0.0002 Å
• α: 63.6983 ± 0.0006°
• β: 80.3553 ± 0.0007°
• γ: 64.154 ± 0.0005°
• Cell volume: 1882.03 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No