Information card for entry 4113757

Structure parameters

• Formula: C130 H124 B2 Cu2 F40 N10 O2
• Calculated formula: C110 H76 B2 Cu2 F40 N10 O2
• SMILES: [Cu]1234Oc5c(n6cc7[n]([Cu]89(Oc%10c(n%11cc([n]4c%11)CC[N]2(Cc2[n]1cccc2)Cc1[n]3cccc1)cc(cc%10C(C)(C)C)C(C)(C)C)[n]1ccccc1C[N]8(Cc1[n]9cccc1)CC7)c6)cc(cc5C(C)(C)C)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.[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: Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity
• Authors of publication: Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6028 - 6029
• a: 16.0283 ± 0.001 Å
• b: 17.9861 ± 0.0011 Å
• c: 21.9398 ± 0.0013 Å
• α: 75.215 ± 0.001°
• β: 87.183 ± 0.001°
• γ: 77.61 ± 0.001°
• Cell volume: 5973 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No