Information card for entry 4081640

Structure parameters

• Formula: C48 H40 Br2 Cu2 N8
• Calculated formula: C48 H40 Br2 Cu2 N8
• SMILES: [Cu]1234[Cu]5([Br]1)(=C1N(c6ccc7ccc8ccc[n]3c8c7[n]46)C=CN1c1c(cc(cc1C)C)C)[n]1c3c4c(ccc[n]54)ccc3ccc1N1C=2N(C=C1)c1c(cc(cc1C)C)C.[Br-]
• Title of publication: Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands
• Authors of publication: Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5451
• a: 25.822 ± 0.004 Å
• b: 15.2487 ± 0.0012 Å
• c: 25.57 ± 0.006 Å
• α: 90°
• β: 114.51 ± 0.02°
• γ: 90°
• Cell volume: 9161 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No