Information card for entry 4060017

Structure parameters

• Formula: C10.17 H11 Cl0.25 N O P2
• Calculated formula: C10.1667 H15 Cl0.253333 N O P2
• Title of publication: Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^
• Authors of publication: Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 1
• Pages of publication: 331 - 336
• a: 21.5254 ± 0.0013 Å
• b: 21.5254 ± 0.0013 Å
• c: 14.173 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5687.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No