Information card for entry 4081636

Structure parameters

• Formula: C36 H32 Cu2 F12 N8 P2
• Calculated formula: C36 H32 Cu2 F12 N8 P2
• SMILES: [Cu]123[Cu]4([n]5c6c7[n]4c(N4C=2N(C(C)C)C=C4)ccc7ccc6ccc5)=C2N(c4[n]1c1c5[n]3cccc5ccc1cc4)C=CN2C(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: 16.2152 ± 0.0006 Å
• b: 13.4658 ± 0.0005 Å
• c: 19.0707 ± 0.001 Å
• α: 90°
• β: 103.266 ± 0.004°
• γ: 90°
• Cell volume: 4053 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No