Information card for entry 4308292

Structure parameters

• Formula: C18 H31 B5 N2 O10
• Calculated formula: C18 H31 B5 N2 O10
• SMILES: COB1O[B-]2(OB(O1)OC)OB(OB(O2)OC)OC.c1(cccc2cccc(c12)N(C)C)[NH+](C)C
• Title of publication: An Unprecedented Polyborate Ester Anion: X-ray Diffraction Studies on [1,8-C10H6(NMe2)2H][B5O6(OMe)4]
• Authors of publication: Michael A. Beckett; Catherine C. Bland; Peter N. Horton; Michael B. Hursthouse; K. Sukumar Varma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3801 - 3803
• a: 9.8513 ± 0.0005 Å
• b: 16.2689 ± 0.0006 Å
• c: 16.0216 ± 0.0008 Å
• α: 90°
• β: 107.749 ± 0.002°
• γ: 90°
• Cell volume: 2445.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1493
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1404
• 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