Information card for entry 4081639

Structure parameters

• Formula: C50 H43 Cl2 Cu2 N8
• Calculated formula: C50 H43 Cl2 Cu2 N9
• SMILES: [Cu]1234[Cu]5(=C6N(c7ccc8ccc9ccc[n]3c9c8[n]47)C=CN6c3c(cc(cc3C)C)C)([Cl]2)[n]2cccc3c2c2c(cc3)ccc([n]52)N2C=1N(C=C2)c1c(cc(cc1C)C)C.C(#N)C.[Cl-]
• 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: 25.9358 ± 0.0017 Å
• b: 15.9196 ± 0.0005 Å
• c: 24.953 ± 0.002 Å
• α: 90°
• β: 116.11 ± 0.009°
• γ: 90°
• Cell volume: 9251.4 ± 1.2 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: 0.0949
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No