Information card for entry 4060019

Structure parameters

• Formula: C13 H15 Br N O4 P2 Re
• Calculated formula: C13 H15 Br N O4 P2 Re
• 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: 6.5297 ± 0.0004 Å
• b: 13.6202 ± 0.0009 Å
• c: 19.8064 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No