Information card for entry 4082478

Structure parameters

• Formula: C41 H36 B N3
• Calculated formula: C41 H36 B N3
• SMILES: B(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cccc1)C#Cc1cc(nc(c1)c1ncccc1)c1ncccc1
• Title of publication: Terpyridine‒Triarylborane Conjugates for the Dual Complexation of Zinc(II) Cation and Fluoride Anion
• Authors of publication: Lee, Young Hoon; Nghia, Nguyen Van; Go, Min Jeong; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 753
• a: 7.1041 ± 0.0002 Å
• b: 13.5525 ± 0.0003 Å
• c: 17.0666 ± 0.0004 Å
• α: 81.698 ± 0.001°
• β: 85.466 ± 0.001°
• γ: 83.345 ± 0.001°
• Cell volume: 1611.72 ± 0.07 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: 0.089
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No