Information card for entry 4081644

Structure parameters

• Formula: C34 H26 Cu2 F12 N10 P2
• Calculated formula: C34 H26 Cu2 F12 N10 P2
• SMILES: c1[n]2c3c(cc1)ccc1c3[n]3c(N4N=CN(C4=[Cu]45[Cu]23=C2N(N=CN2CC=C)c2[n]5c3c5c(ccc[n]45)ccc3cc2)CC=C)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 17.8295 ± 0.0018 Å
• b: 14.9484 ± 0.001 Å
• c: 15.3304 ± 0.0013 Å
• α: 90°
• β: 108.669 ± 0.01°
• γ: 90°
• Cell volume: 3870.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No