Information card for entry 4071615

Structure parameters

• Formula: C38 H70 Cl2 N12 O10 Pd2
• Calculated formula: C38 H70 Cl2 N12 O10 Pd2
• SMILES: COc1n[n]2[Pd]3(=C4N(C=CN4CCCC)[Pd]4(=C5N3C=CN5CCCC)=C3N(c5ccc(n[n]45)OC)C=CN3CCCC)=C3N(c2cc1)C=CN3CCCC.O.O.O.O.[Cl-].O.O.O.O.[Cl-]
• Title of publication: Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling
• Authors of publication: Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4166
• a: 23.109 ± 0.004 Å
• b: 9.8636 ± 0.0018 Å
• c: 22.869 ± 0.004 Å
• α: 90°
• β: 91.755 ± 0.002°
• γ: 90°
• Cell volume: 5210.3 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No