Information card for entry 7002057

Structure parameters

• Formula: C14 H12 Cl2 N4 Pd
• Calculated formula: C14 H12 Cl2 N4 Pd
• SMILES: [Pd]1(=C2N(C=CN2Cc2ccccc2)c2[n]1cccn2)(Cl)Cl
• Title of publication: Synthesis of tetra- and pentacoordinate palladium complexes of functionalized N-heterocyclic carbenes and a comparative study of their catalytic activities
• Authors of publication: Zhang, Xiaoming; Xia, Qinqin; Chen, Wanzhi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7045
• a: 5.1207 ± 0.0014 Å
• b: 24.454 ± 0.003 Å
• c: 23.766 ± 0.003 Å
• α: 90°
• β: 93.217 ± 0.002°
• γ: 90°
• Cell volume: 2971.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No