Information card for entry 4088330

Structure parameters

• Formula: C18 H29 Cl2 N2 P Pd
• Calculated formula: C18 H29 Cl2 N2 P Pd
• SMILES: [Pd]1(=C2N([P]1(C(C)(C)C)C(C)(C)C)CCCN2c1ccccc1)(Cl)Cl
• Title of publication: Chelate Palladium(II) Complexes with Saturated N-Phosphanyl-N-Heterocyclic Carbene Ligands: Synthesis and Catalysis
• Authors of publication: Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 762
• a: 9.4381 ± 0.0016 Å
• b: 12.831 ± 0.002 Å
• c: 17.115 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.6 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No