Information card for entry 7110321

Structure parameters

• Formula: C37 H72 B Br Mg O6
• Calculated formula: C37 H72 B Br Mg O6
• Title of publication: Novel organocycloborates via Grignard reagentsElectronic supplementary information (ESI) available: experimental details and 1H, 13C and 11B NMR data for 1, 2, 3and 4, single crystal X-ray data and additional figures for 3and 4. See http://www.rsc.org/suppdata/cc/b4/b404864d/
• Authors of publication: Braunschweig, Holger; D'Andola, Giovanni; Welton, Tom; White, Andrew J. P.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 15
• Pages of publication: 1738 - 1739
• a: 10.953 ± 0.002 Å
• b: 14.4213 ± 0.0016 Å
• c: 25.584 ± 0.003 Å
• α: 90°
• β: 93.597 ± 0.015°
• γ: 90°
• Cell volume: 4033.2 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No