Information card for entry 4515026

Structure parameters

• Formula: C174 H258 B9 N9
• Calculated formula: C116.5 H120 B9 N9
• Title of publication: Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.
• Authors of publication: Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 9343 - 9351
• a: 50.994 ± 0.007 Å
• b: 50.994 ± 0.007 Å
• c: 12.034 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27101 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.251
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No