Information card for entry 4075857

Structure parameters

• Common name: bis-diazolePdCl2 + 0.5MeCN
• Formula: C16 H25.5 Cl2 N4.5 Pd
• Calculated formula: C16 H25.5 Cl2 N4.5 Pd
• SMILES: CCCCN1C=CN2C1=[Pd](=C1N(C2)C=CN1CCCC)(Cl)Cl.CC#N
• Title of publication: Low-Melting Dialkyl- and Bis(polyfluoroalkyl)-Substituted 1,1‘-Methylenebis(imidazolium) and 1,1‘-Methylenebis(1,2,4-triazolium) Bis(trifluoromethanesulfonyl)amides: Ionic Liquids Leading to Bis(N-heterocyclic carbene) Complexes of Palladium
• Authors of publication: Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 3020
• a: 10.1787 ± 0.0005 Å
• b: 14.5223 ± 0.0006 Å
• c: 13.365 ± 0.0006 Å
• α: 90°
• β: 102.214 ± 0.001°
• γ: 90°
• Cell volume: 1930.87 ± 0.15 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No