Information card for entry 7047641

Structure parameters

• Formula: C1.72 H1.24 B0.07 N0.07 O0.21
• Calculated formula: C1.72414 H1.24138 B0.0689655 N0.0689655 O0.206897
• 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: 9.8468 ± 0.0004 Å
• b: 10.1242 ± 0.0004 Å
• c: 10.1222 ± 0.0003 Å
• α: 90°
• β: 103.228 ± 0.002°
• γ: 90°
• Cell volume: 982.32 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No