Information card for entry 7101795

Structure parameters

• Formula: C32 H62 Cl2 N4 Pd2
• Calculated formula: C32 H62 Cl2 N4 Pd2
• SMILES: C1(N(C=CN1C(C)(C)C)C(C)(C)C)=[Pd]1([Cl][Pd](=C2N(C=CN2C(C)(C)C)C(C)(C)C)([Cl]1)CC(C)(C)C)CC(C)(C)C
• Title of publication: Synthesis and reactivity of alkyl-palladium N-heterocyclic carbene complexes.
• Authors of publication: Esposito, Oriana; Lewis, Alexandra K de K; Hitchcock, Peter B; Caddick, Stephen; Cloke, F Geoffrey N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1157 - 1159
• a: 11.154 ± 0.0003 Å
• b: 9.7982 ± 0.0002 Å
• c: 17.5999 ± 0.0004 Å
• α: 90°
• β: 107.56 ± 0.001°
• γ: 90°
• Cell volume: 1833.85 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No