Information card for entry 7044401

Structure parameters

• Formula: C20 H34 B F4 N2 O4 P
• Calculated formula: C20 H34 B F4 N2 O4 P
• Title of publication: Amidine functionalized phosphines: tuneable ligands for transition metals
• Authors of publication: Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.2214 ± 0.0003 Å
• b: 23.4406 ± 0.0004 Å
• c: 14.2488 ± 0.0002 Å
• α: 90°
• β: 93.025 ± 0.001°
• γ: 90°
• Cell volume: 4743.34 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No