Information card for entry 4065580

Structure parameters

• Formula: C50 H52 Cu4 F24 N18 O3 P4
• Calculated formula: C50 H52 Cu4 F24 N18 O3 P4
• 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: 17.29 ± 0.002 Å
• b: 12.5344 ± 0.0014 Å
• c: 17.477 ± 0.002 Å
• α: 90°
• β: 119.072 ± 0.002°
• γ: 90°
• Cell volume: 3310.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No