Information card for entry 4107816

Structure parameters

• Formula: C38 H47 Cl N2 Pd
• Calculated formula: C38 H47 Cl N2 Pd
• SMILES: [Pd]12(Cl)(=C3N(CCN3c3c4cc(ccc4ccc3C(C)C)C(C)C)c3c4cc(ccc4ccc3C(C)C)C(C)C)C[CH]1=[CH2]2
• Title of publication: Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes
• Authors of publication: Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6848 - 6858
• a: 11.9641 ± 0.0001 Å
• b: 22.8052 ± 0.0002 Å
• c: 13.0081 ± 0.0001 Å
• α: 90°
• β: 106.834 ± 0.0004°
• γ: 90°
• Cell volume: 3397.08 ± 0.05 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0526
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No