Information card for entry 4079869

Structure parameters

• Formula: C38 H34 Co F12 N10 P2
• Calculated formula: C38 H34 Co F12 N10 P2
• SMILES: [Co]12(=C3N4c5c(c(cc(C)[n]15)C)C=CC4=NN3c1ccccc1)(=C1N3c4c(c(cc(C)[n]24)C)C=CC3=NN1c1ccccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[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: 12.1245 ± 0.0004 Å
• b: 13.2797 ± 0.0005 Å
• c: 14.8043 ± 0.0005 Å
• α: 65.262 ± 0.003°
• β: 84.575 ± 0.003°
• γ: 87.872 ± 0.003°
• Cell volume: 2155.19 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.107
• 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