Information card for entry 4315195

Structure parameters

• Formula: C40 H48 Cl8 N4 O4 Pd2
• Calculated formula: C40 H48 Cl8 N4 O4 Pd2
• SMILES: C1(N(CCN1Cc1ccccc1OC)Cc1ccccc1OC)=[Pd]1([Cl][Pd](=C2N(CCN2Cc2ccccc2OC)Cc2ccccc2OC)(Cl)[Cl]1)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 10.132 ± 0.0001 Å
• b: 13.9446 ± 0.0002 Å
• c: 17.1902 ± 0.0002 Å
• α: 90°
• β: 106.787 ± 0.001°
• γ: 90°
• Cell volume: 2325.25 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No