Information card for entry 4515031

Structure parameters

• Formula: C78 H78 B6 N6
• Calculated formula: C78 H78 B6 N6
• 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: 12.472 ± 0.003 Å
• b: 15.108 ± 0.003 Å
• c: 19.725 ± 0.004 Å
• α: 80.08 ± 0.03°
• β: 75.32 ± 0.03°
• γ: 68.48 ± 0.03°
• Cell volume: 3331.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No