Information card for entry 7047645

Structure parameters

• Formula: C2.95 H2.42 B0.11 N0.21 O0.53
• Calculated formula: C2.94737 H2.42105 B0.105263 N0.210526 O0.526316
• Title of publication: Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.
• Authors of publication: Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 15002 - 15008
• a: 10.3317 ± 0.0013 Å
• b: 15.4676 ± 0.0014 Å
• c: 15.5196 ± 0.0016 Å
• α: 90°
• β: 90.33 ± 0.01°
• γ: 90°
• Cell volume: 2480.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1735
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No