Information card for entry 4082988

Structure parameters

• Formula: C24 H26 Br Cu F6 N6 P
• Calculated formula: C24 H26 Br Cu F6 N6 P
• SMILES: Br[Cu]12([n]3c(N4C=1N(CC=C)C=C4)cc(cc3)C)[n]1c(N3C=2N(CC=C)C=C3)cc(C)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether
• Authors of publication: Lake, Benjamin R. M.; Willans, Charlotte E.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2027
• a: 13.2357 ± 0.0004 Å
• b: 14.5874 ± 0.0004 Å
• c: 15.6494 ± 0.0005 Å
• α: 62.942 ± 0.003°
• β: 89.791 ± 0.002°
• γ: 88.691 ± 0.002°
• Cell volume: 2690.01 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No