Information card for entry 4067886

Structure parameters

• Formula: C30 H28 F12 N8 Ni P2
• Calculated formula: C30 H28 F12 N8 Ni P2
• SMILES: [Ni]12(=C3N(Cc4cccc[n]14)C=CN3Cc1ccccn1)=C1N(Cc3ccccn3)C=CN1Cc1cccc[n]21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes
• Authors of publication: Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 282
• a: 8.1885 ± 0.0006 Å
• b: 20.5473 ± 0.0013 Å
• c: 20.8831 ± 0.001 Å
• α: 90°
• β: 95.301 ± 0.005°
• γ: 90°
• Cell volume: 3498.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No