Information card for entry 2203764

Structure parameters

• Chemical name: dimethylammonium 1,1'-spiro-bis(3,5,-dihydroxy-2,4,6-trioxa-1,3,5-triboracyclohexane)borate
• Formula: C2 H12 B5 N O10
• Calculated formula: C2 H12 B5 N O10
• SMILES: [B-]12(OB(O)OB(O)O1)OB(O)OB(O)O2.[NH2+](C)C
• Title of publication: Dimethylammonium tetrahydropentaborate
• Authors of publication: R. Angharad Baber; Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; Jean Rossi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1086 - o1088
• a: 13.3664 ± 0.0003 Å
• b: 11.4709 ± 0.0003 Å
• c: 17.1147 ± 0.0004 Å
• α: 90°
• β: 112.16 ± 0.001°
• γ: 90°
• Cell volume: 2430.27 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No