Information card for entry 4081646

Structure parameters

• Formula: C66 H49 Cu3 F18 N19 P3
• Calculated formula: C66 H49 Cu3 F18 N19 P3
• SMILES: [Cu]12([n]3c4c5[n]1c(n1[n]([Cu]6([n]7c8c9[n]6cccc9ccc8ccc7n6nccc6)[N]#CC)ccc1)ccc5ccc4ccc3)[n]1c3c4[n]2cccc4ccc3ccc1n1[n]([Cu]2([n]3c(n4nccc4)ccc4c3c3[n]2cccc3cc4)[N]#CC)ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• 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: 14.3018 ± 0.0011 Å
• b: 15.4518 ± 0.0007 Å
• c: 17.603 ± 0.0011 Å
• α: 75.739 ± 0.005°
• β: 70.577 ± 0.007°
• γ: 74.451 ± 0.005°
• Cell volume: 3481.1 ± 0.4 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: 0.1685
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.2917
• Weighted residual factors for all reflections included in the refinement: 0.3307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No