Information card for entry 4114746

Structure parameters

• Formula: C34 H25 B Cu F20 N3
• Calculated formula: C34 H25 B Cu F20 N3
• SMILES: [Cu]12[N](CCC[NH]1CCC[N]2(C)C)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Contrasting Copper-Dioxygen Chemistry Arising from Alike Tridentate Alkyltriamine Copper(I) Complexes
• Authors of publication: Hong-Chang Liang; Christiana Xin Zhang; Mark J. Henson; Roger D. Sommer; Karen R. Hatwell; Susan Kaderli; Andreas D. Zuberbühler; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 4170 - 4171
• a: 18.1702 ± 0.001 Å
• b: 23.3832 ± 0.0013 Å
• c: 33.8378 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14376.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No