Information card for entry 1563217

Structure parameters

• Formula: C3 H14 B5 N2 O10
• Calculated formula: C3 H14 B5 N2 O10
• Title of publication: Synthesis and structure of [C6N4H20]0.5[B5O6(OH)4]: A new organically templated pentaborate with white-light-emission
• Authors of publication: Yang, Yang; Sun, Jiang-Bo; Cui, Miao; Liu, Rui-Bin; Wang, Yu; Meng, Chang-Gong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 7
• Pages of publication: 1666 - 1670
• a: 9.2 ± 0.003 Å
• b: 14.121 ± 0.005 Å
• c: 10.33 ± 0.004 Å
• α: 90°
• β: 91.512 ± 0.004°
• γ: 90°
• Cell volume: 1341.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No