Information card for entry 4081642

Structure parameters

• Formula: C56 H55 Cu2 F12 N9 P2
• Calculated formula: C56 H55 Cu2 F12 N9 P2
• SMILES: [Cu]12[Cu]34([n]5c6c(ccc5N5C=1N(c1c(cccc1C(C)C)C(C)C)C=C5)ccc1c6[n]4ccc1)[n]1cccc4c1c1[n]3c(ccc1cc4)N1C=2N(c2c(C(C)C)cccc2C(C)C)C=C1.[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: 12.5977 ± 0.0004 Å
• b: 15.5407 ± 0.0006 Å
• c: 16.44 ± 0.0006 Å
• α: 82.213 ± 0.003°
• β: 76.549 ± 0.003°
• γ: 68.976 ± 0.003°
• Cell volume: 2917.1 ± 0.19 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: 0.0917
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No