Information card for entry 7224497

Structure parameters

• Formula: C23 H26 Cl2 N4 Pd
• Calculated formula: C23 H26 Cl2 N4 Pd
• SMILES: [Pd](Cl)(Cl)([n]1n(ccc1)C)=C1N(C=CN1c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides
• Authors of publication: Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 29
• Pages of publication: 24484
• a: 9.1155 ± 0.0018 Å
• b: 13.036 ± 0.003 Å
• c: 20.075 ± 0.004 Å
• α: 87.103 ± 0.004°
• β: 89.823 ± 0.004°
• γ: 89.63 ± 0.004°
• Cell volume: 2382.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No