Information card for entry 4071616

Structure parameters

• Formula: C12 H19 Cl N4 O2
• Calculated formula: C12 H19 Cl N4 O2
• SMILES: O(c1nnc(n2c[n+](cc2)CCCC)cc1)C.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: 5.0761 ± 0.0008 Å
• b: 14.6843 ± 0.0016 Å
• c: 21.131 ± 0.002 Å
• α: 90°
• β: 98.605 ± 0.003°
• γ: 90°
• Cell volume: 1557.4 ± 0.3 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: 0.225
• Residual factor for significantly intense reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No