Information card for entry 4081306

Structure parameters

• Formula: C24 H29 Cl4 N3 Pd
• Calculated formula: C24 H29 Cl4 N3 Pd
• SMILES: C12N(C=CN1c1c(cc(cc1C)C)C)C(C)=[N](c1c(cccc1C)C)[Pd]=2(C)Cl.C(Cl)(Cl)Cl
• 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: 11.0817 ± 0.0004 Å
• b: 16.3923 ± 0.0007 Å
• c: 14.6108 ± 0.0007 Å
• α: 90°
• β: 94.911 ± 0.003°
• γ: 90°
• Cell volume: 2644.4 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No