Information card for entry 7134732

Structure parameters

• Formula: C64 H109 B N5 P
• Calculated formula: C64 H109 B N5 P
• Title of publication: Development of electronically tuneable N-heterocyclic borates.
• Authors of publication: Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 57
• Pages of publication: 10610 - 10613
• a: 12.1405 ± 0.0016 Å
• b: 27.056 ± 0.004 Å
• c: 20.237 ± 0.003 Å
• α: 90°
• β: 95.591 ± 0.008°
• γ: 90°
• Cell volume: 6615.7 ± 1.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.1214
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No