Information card for entry 7002059

Structure parameters

• Formula: C17 H26 Cl N3 Pd
• Calculated formula: C17 H26 Cl N3 Pd
• SMILES: [Pd]1(Cl)([N](CCN2C=1N(C=C2)c1c(cc(cc1C)C)C)(C)C)C
• Title of publication: Synthesis and characterization of PdII-methyl complexes with N-heterocyclic carbene-amine ligands
• Authors of publication: Warsink, Stefan; de Boer, Sandra Y.; Jongens, Lianne M.; Fu, Ching-Feng; Liu, Shiuh-Tzung; Chen, Jwu-Ting; Lutz, Martin; Spek, Anthony L.; Elsevier, Cornelis J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7080
• a: 13.1723 ± 0.0001 Å
• b: 11.1113 ± 0.0002 Å
• c: 14.7333 ± 0.0002 Å
• α: 90°
• β: 121.819 ± 0.0006°
• γ: 90°
• Cell volume: 1832.31 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No