Information card for entry 4123544

Structure parameters

• Common name: (cAAC)P(Ph)2+ Cl-
• Formula: C71 H90 Cl2 N2 P2
• Calculated formula: C71 H90 Cl2 N2 P2
• Title of publication: Stable Radicals from Commonly Used Precursors Trichlorosi-lane and Diphenylchlorophosphine.
• Authors of publication: Roy, Sudipta; Stückl, A Claudia; Demeshko, Serhiy; Dittrich, Birger; Meyer, Jann; Maity, Bholanath; Koley, Debasis; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150403102455008
• a: 10.128 ± 0.005 Å
• b: 10.623 ± 0.003 Å
• c: 17.485 ± 0.01 Å
• α: 74.67 ± 0.03°
• β: 76.59 ± 0.03°
• γ: 62.93 ± 0.03°
• Cell volume: 1601.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.6199 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No