Information card for entry 7123765

Structure parameters

• Formula: C53 H68 B Mg N2 O3 P
• Calculated formula: C53 H68 B Mg N2 O3 P
• Title of publication: Diborane Heterolysis and P(V) Reduction by Ph3P=O Coordination to Magnesium
• Authors of publication: Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique; McMullin, Claire; Rajabi, Nasir A.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 35.0861 ± 0.0006 Å
• b: 13.1244 ± 0.0002 Å
• c: 22.2626 ± 0.0004 Å
• α: 90°
• β: 100.785 ± 0.002°
• γ: 90°
• Cell volume: 10070.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No