Information card for entry 4065583

Structure parameters

• Formula: C42 H36 Cu2 F12 N14 P2 S4
• Calculated formula: C42 H36 Cu2 F12 N14 P2 S4
• 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: 8.3049 ± 0.0008 Å
• b: 12.396 ± 0.0011 Å
• c: 12.9733 ± 0.0013 Å
• α: 84.336 ± 0.001°
• β: 87.281 ± 0.002°
• γ: 87.637 ± 0.002°
• Cell volume: 1326.7 ± 0.2 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: 0.0995
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No