Information card for entry 4081309

Structure parameters

• Formula: C28 H37 F6 N4 P Pd
• Calculated formula: C28 H37 F6 N4 P Pd
• SMILES: [Pd]1(=C2N(C=CN2c2c(cc(cc2C)C)C)C(=[N]1c1c(cccc1C)C)C(C)(C)C)([N]#CC)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes
• Authors of publication: Badaj, Anna C.; Lavoie, Gino G.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4577
• a: 7.3401 ± 0.0008 Å
• b: 19.14 ± 0.002 Å
• c: 21.839 ± 0.002 Å
• α: 90°
• β: 92.519 ± 0.003°
• γ: 90°
• Cell volume: 3065.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No