Information card for entry 7123766

Structure parameters

• Formula: C106 H136 B2 Mg2 N4 O8 P2
• Calculated formula: C106 H136 B2 Mg2 N4 O8 P2
• 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: 35.0559 ± 0.001 Å
• b: 13.3465 ± 0.0002 Å
• c: 22.2186 ± 0.0007 Å
• α: 90°
• β: 100.589 ± 0.003°
• γ: 90°
• Cell volume: 10218.5 ± 0.5 ų
• Cell temperature: 149.9 ± 0.5 K
• Ambient diffraction temperature: 149.9 ± 0.5 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: 0.0897
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No