Information card for entry 4067889

Structure parameters

• Formula: C29 H27 Cl F6 N9 P Pd
• Calculated formula: C29 H27 Cl F6 N9 P Pd
• SMILES: [Pd]12(=C3N(c4ccccc4N3Cc3cn(Cc4ccccc4)n[n]13)Cc1cn(Cc3ccccc3)n[n]21)Cl.CC#N.[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: 11.4331 ± 0.0008 Å
• b: 11.9186 ± 0.0004 Å
• c: 12.5722 ± 0.0005 Å
• α: 107.773 ± 0.003°
• β: 93.729 ± 0.004°
• γ: 97.765 ± 0.004°
• Cell volume: 1606.16 ± 0.14 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: 0.0539
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No