Information card for entry 7134734

Structure parameters

• Formula: C104 H164 B3 Cl2 N8
• Calculated formula: C104 H164.003 B3 Cl2 N8
• 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: 14.1177 ± 0.0009 Å
• b: 18.5164 ± 0.0013 Å
• c: 20.8008 ± 0.0014 Å
• α: 90°
• β: 104.244 ± 0.005°
• γ: 90°
• Cell volume: 5270.3 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No