Information card for entry 4082979

Structure parameters

• Formula: C24 H26 Br3 Cu2 N6
• Calculated formula: C24 H26 Br3 Cu2 N6
• SMILES: Br[Cu]12([n]3c(N4C=1N(CC=C)C=C4)cc(cc3)C)[n]1c(N3C=2N(CC=C)C=C3)cc(cc1)C.Br[Cu][Br-]
• 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: 14.6616 ± 0.0006 Å
• b: 12.1029 ± 0.0004 Å
• c: 15.9899 ± 0.0006 Å
• α: 90°
• β: 102.622 ± 0.004°
• γ: 90°
• Cell volume: 2768.8 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No