Information card for entry 4081641

Structure parameters

• Formula: C48 H40 Cu2 I2 N8
• Calculated formula: C48 H40 Cu2 I2 N8
• SMILES: [Cu]1234[Cu]5(=C6N(c7ccc8ccc9ccc[n]3c9c8[n]47)C=CN6c3c(cc(cc3C)C)C)([I]2)[n]2c3c4c(ccc[n]54)ccc3ccc2N2C=1N(C=C2)c1c(cc(cc1C)C)C.[I-]
• 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: 26.3096 ± 0.0014 Å
• b: 14.7888 ± 0.0005 Å
• c: 26.6472 ± 0.0013 Å
• α: 90°
• β: 115.305 ± 0.006°
• γ: 90°
• Cell volume: 9373.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No