Information card for entry 4082975

Structure parameters

• Formula: C26 H30 Br2 Cl4 Cu2 N6
• Calculated formula: C26 H30 Br2 Cl4 Cu2 N6
• SMILES: Br[Cu]123C45N(CC=C)C=CN4Cc4cccc[n]4[Cu]35(C31N(CC=C)C=CN3Cc1cccc[n]21)Br.C(Cl)Cl.C(Cl)Cl
• 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: 11.7314 ± 0.0006 Å
• b: 8.2776 ± 0.0004 Å
• c: 16.4014 ± 0.0007 Å
• α: 90°
• β: 100.032 ± 0.005°
• γ: 90°
• Cell volume: 1568.35 ± 0.13 ų
• Cell temperature: 99.96 ± 0.14 K
• Ambient diffraction temperature: 99.96 ± 0.14 K
• Number of distinct elements: 6
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No