Information card for entry 7044653

Structure parameters

• Formula: C7 H17 B5 N2 O10
• Calculated formula: C7 H17 B5 N2 O10
• SMILES: O1[B]2(OB(OB(O2)O)O)OB(OB1O)O.n1(cc[n+](C)c1C)CC
• Title of publication: Temperature dependence of photoluminescence and hydrogen bonding revealed for the first time in templated borate family: synthesis, structure and properties of a pentborate [Emmim][B5O6(OH)4]
• Authors of publication: Pan, Chun-Yang; Zhou, Kang; Li, Jun; Zhao, Feng-Hua; Liu, Zhi-Qiang; Chen, Zhuo-Qing
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 11.366 ± 0.002 Å
• b: 11.65 ± 0.002 Å
• c: 11.659 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1543.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No