Information card for entry 4305561

Structure parameters

• Formula: C93 H133 B3 N6 O17
• Calculated formula: C94.791 H101 B3 N6 O17.265
• 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: 15.7426 ± 0.0016 Å
• b: 17.3848 ± 0.0018 Å
• c: 18.338 ± 0.002 Å
• α: 111.261 ± 0.002°
• β: 100.393 ± 0.002°
• γ: 93.644 ± 0.002°
• Cell volume: 4554.7 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2254
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No