Information card for entry 7713088

Structure parameters

• Formula: C34 H38 Al B F36 N3 O4 P
• Calculated formula: C34 H38 Al B F36 N3 O4 P
• Title of publication: Application of nonmetallic frustrated cations in the activation of small molecules
• Authors of publication: Kaniewska-Laskowska, Kinga; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 18.6108 ± 0.0004 Å
• b: 14.3902 ± 0.0004 Å
• c: 20.5231 ± 0.0004 Å
• α: 90°
• β: 113.982 ± 0.001°
• γ: 90°
• Cell volume: 5021.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.2687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No