Information card for entry 4130146

Structure parameters

• Common name: [Cu2(NCCH3)DPFN](NTf2)2,n(o-C6H4Cl2)
• Formula: C43.39 H27.78 Cl1.77 Cu2 F14 N9 O8 S4
• Calculated formula: C43.398 H27.778 Cl1.772 Cu2 F14 N9 O8 S4
• Title of publication: Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.
• Authors of publication: Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6484 - 6491
• a: 25.2803 ± 0.0009 Å
• b: 15.4022 ± 0.0006 Å
• c: 27.2625 ± 0.001 Å
• α: 90°
• β: 106.227 ± 0.001°
• γ: 90°
• Cell volume: 10192.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No