Information card for entry 4081645

Structure parameters

• Formula: C44 H33 Cu2 F12 N11 P2
• Calculated formula: C44 H33 Cu2 F12 N11 P2
• SMILES: [Cu]1234[Cu]5([n]6c(N7C=3N(C=N7)Cc3ccccc3)ccc3c6c6[n]5cccc6cc3)(=C3N(c5[n]1c1c6[n]2cccc6ccc1cc5)N=CN3Cc1ccccc1)[N]4#CC.[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: 11.8783 ± 0.0013 Å
• b: 12.5234 ± 0.0016 Å
• c: 18.5523 ± 0.0014 Å
• α: 105.584 ± 0.009°
• β: 92.839 ± 0.007°
• γ: 118.04 ± 0.012°
• Cell volume: 2295.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.3029
• Weighted residual factors for all reflections included in the refinement: 0.3315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No