Information card for entry 4065581

Structure parameters

• Formula: C50 H48 Cu4 F24 N20 O2 P4
• Calculated formula: C50 H48 Cu4 F24 N20 O2 P4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n12[Cu]34([N]#CC)[OH]5[Cu]678=C9N(Cc%10cc%11CN%12C%13N(C=C%12)c%12[n](cccc%12)[Cu]=%13(n%11[n]7%10)([N]#CC)[OH]6[Cu]675=C5N(Cc(cc1CN1C=3N(C=C1)c1[n]4cccc1)[n]27)C=CN5c1[n]6cccc1)C=CN9c1[n]8cccc1.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Copper(II) Hydroxide Complexes of N-Heterocyclic Carbenes and Catalytic Oxidative Amination of Arylboronic Acids
• Authors of publication: Liu, Bo; Liu, Bin; Zhou, Yongbo; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1457
• a: 12.1951 ± 0.0016 Å
• b: 12.2169 ± 0.0015 Å
• c: 12.7873 ± 0.0017 Å
• α: 78.2 ± 0.002°
• β: 81.688 ± 0.002°
• γ: 64.546 ± 0.001°
• Cell volume: 1680.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No