Information card for entry 4515192

Structure parameters

• Formula: C81 H56 B4 Cl4 N4 O8
• Calculated formula: C81 H56 B4 Cl4 N4 O8
• Title of publication: Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity
• Authors of publication: Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 3
• a: 14.50238 ± 0.00013 Å
• b: 21.17437 ± 0.00016 Å
• c: 21.92873 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6733.85 ± 0.09 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No