Information card for entry 1515401

Structure parameters

• Formula: C56.8 H50.6 B F15 Mg N2 O4
• Calculated formula: C56.8 H50.6 B F15 Mg N2 O4
• Title of publication: Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis
• Authors of publication: Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 2826
• a: 25.258 ± 0.0008 Å
• b: 12.873 ± 0.0004 Å
• c: 34.507 ± 0.001 Å
• α: 90°
• β: 99.746 ± 0.001°
• γ: 90°
• Cell volume: 11057.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No