Information card for entry 4021372

Structure parameters

• Common name: C17 H21 Cl N4 Pd, 0.5 (CH2 Cl2)
• Formula: C17.5 H22 Cl2 N4 Pd
• Calculated formula: C17.5 H22 Cl2 N4 Pd
• Title of publication: A Highly Efficient, Recyclable Catalyst for C-C Coupling Reactions in Ionic Liquids: Pyrazolyl-Functionalized N-Heterocyclic Carbene Complex of Palladium(II)
• Authors of publication: Ruihu Wang; Brendan Twamley; Jean'ne M. Shreeve
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 426 - 429
• a: 8.1482 ± 0.0004 Å
• b: 18.4592 ± 0.0008 Å
• c: 12.9869 ± 0.0006 Å
• α: 90°
• β: 90.621 ± 0.001°
• γ: 90°
• Cell volume: 1953.24 ± 0.16 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No