Information card for entry 4315197

Structure parameters

• Formula: C14 H28 Cl2 N4 Pd
• Calculated formula: C14 H28 Cl2 N4 Pd
• SMILES: [Pd](=C1N(CCN1CC)CC)(Cl)(Cl)=C1N(CCN1CC)CC
• Title of publication: Biscarbene Palladium(II) Complexes. Reactivity of Saturated Versus Unsaturated N-Heterocyclic Carbenes
• Authors of publication: Ching-Feng Fu; Chun-Chin Lee; Yi-Hung Liu; Shie-Ming Peng; Stefan Warsink; Cornelis J. Elsevier; Jwu-Ting Chen; Shiuh-Tzung Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3011 - 3018
• a: 17.817 ± 0.0003 Å
• b: 8.345 ± 0.0001 Å
• c: 12.542 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1864.78 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No