Information card for entry 4081307

Structure parameters

• Formula: C27 H35 Cl4 N3 Pd
• Calculated formula: C27 H35 Cl4 N3 Pd
• SMILES: C12N(C=CN1C(C(C)(C)C)=[N](c1c(cccc1C)C)[Pd]=2(C)Cl)c1c(cc(cc1C)C)C.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: 9.525 ± 0.0003 Å
• b: 15.6302 ± 0.0004 Å
• c: 19.0325 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2833.51 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No