Information card for entry 4081638

Structure parameters

• Formula: C50 H43 Cu2 F12 N9 P2
• Calculated formula: C50 H43 Cu2 F12 N9 P2
• SMILES: CC#N.[Cu]123[Cu]4([n]5c6c7[n]4cccc7ccc6ccc5N4C=3N(c3c(cc(cc3C)C)C)C=C4)=C3N(c4[n]1c1c5[n]2cccc5ccc1cc4)C=CN3c1c(cc(cc1C)C)C.[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: 14.4736 ± 0.0007 Å
• b: 14.5788 ± 0.0007 Å
• c: 15.0484 ± 0.0008 Å
• α: 68.389 ± 0.005°
• β: 75.38 ± 0.004°
• γ: 65.775 ± 0.004°
• Cell volume: 2672.9 ± 0.3 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: 0.0899
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No