Information card for entry 4067888

Structure parameters

• Formula: C15 H14 Cl F6 N4 P Pd
• Calculated formula: C15 H14 Cl F6 N4 P Pd
• SMILES: [Pd]12(=C3N(C=CN3Cc3cccc[n]13)Cc1cccc[n]21)Cl.[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: 8.9482 ± 0.0006 Å
• b: 10.0347 ± 0.0008 Å
• c: 11.5888 ± 0.0008 Å
• α: 72.059 ± 0.007°
• β: 84.31 ± 0.006°
• γ: 67.579 ± 0.007°
• Cell volume: 914.95 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No