Information card for entry 1568044

Structure parameters

• Formula: C15 H12 B3 N3 O3
• Calculated formula: C15 H12 B3 N3 O3
• Title of publication: Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.
• Authors of publication: Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 533 - 539
• a: 11.4709 ± 0.0016 Å
• b: 9.6054 ± 0.0015 Å
• c: 10.811 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1191.2 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No