Information card for entry 4079867

Structure parameters

• Formula: C31 H25 Cu F6 N7 P
• Calculated formula: C31 H25 Cu F6 N7 P
• SMILES: [Cu]12(=C3N4c5c(c(cc(C)[n]15)C)C=CC4=NN3c1ccccc1)[n]1cccc3c1c1c(cc3)ccc[n]21.C(#N)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes
• Authors of publication: Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 209
• a: 7.751 ± 0.0004 Å
• b: 12.007 ± 0.0006 Å
• c: 16.6989 ± 0.001 Å
• α: 88.355 ± 0.004°
• β: 89.248 ± 0.004°
• γ: 82.027 ± 0.004°
• Cell volume: 1538.38 ± 0.14 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: 0.0768
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No