Information card for entry 4305558

Structure parameters

• Formula: C82.5 H114 B3 N3 O13.5
• Calculated formula: C82.5 H92 B3 N3 O13.5
• Title of publication: Trianionic Organoborate Triangles
• Authors of publication: Brendan F. Abrahams; Berin A. Boughton; Haozhen Choy; Oliver Clarke; Martin J. Grannas; David J. Price; Richard Robson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9797 - 9803
• a: 20.343 ± 0.003 Å
• b: 29.068 ± 0.004 Å
• c: 13.68 ± 0.002 Å
• α: 90°
• β: 91.177 ± 0.002°
• γ: 90°
• Cell volume: 8088 ± 2 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.1804
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.3281
• Weighted residual factors for all reflections included in the refinement: 0.3681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No