Information card for entry 4070390

Structure parameters

• Formula: C15 H16 Cl F6 N4 P Pd
• Calculated formula: C15 H16 Cl F6 N4 P Pd
• SMILES: [Pd]12(=C3N(CCN3Cc3[n]1cccc3)Cc1[n]2cccc1)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: N-Heterocyclic Carbene Transfer from Gold(I) to Palladium(II)
• Authors of publication: Liu, Shiuh-Tzung; Lee, Chun-I; Fu, Ching-Feng; Chen, Chang-Hong; Liu, Yi-Hung; Elsevier, Cornelis J.; Peng, Shei-Ming; Chen, Jwu-Ting
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6957
• a: 8.8533 ± 0.0002 Å
• b: 10.3 ± 0.0002 Å
• c: 11.7433 ± 0.0003 Å
• α: 69.643 ± 0.002°
• β: 84.81 ± 0.002°
• γ: 67.415 ± 0.002°
• Cell volume: 925.83 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No