Information card for entry 4088329

Structure parameters

• Formula: C21 H35 N2 P
• Calculated formula: C21 H35 N2 P
• SMILES: P(N1[C]N(c2c(cc(cc2C)C)C)CCC1)(C(C)(C)C)C(C)(C)C
• 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: 10.1402 ± 0.0003 Å
• b: 14.3567 ± 0.0004 Å
• c: 14.9971 ± 0.0004 Å
• α: 93.788 ± 0.001°
• β: 100.686 ± 0.001°
• γ: 90.57 ± 0.001°
• Cell volume: 2140.18 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No