Information card for entry 7017330

Structure parameters

• Formula: C20 H23 Br Cl N3 O Pd
• Calculated formula: C20 H23 Br Cl N3 O Pd
• SMILES: [Pd]12([n]3c(C(=[N]1c1c(cc(Br)cc1C)C)C)cccc3C(=O)N2CCCC)Cl
• Title of publication: 2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.
• Authors of publication: Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 48
• Pages of publication: 12856 - 12865
• a: 9.833 ± 0.002 Å
• b: 10.801 ± 0.002 Å
• c: 11.479 ± 0.002 Å
• α: 117.58 ± 0.03°
• β: 94.67 ± 0.03°
• γ: 90.15 ± 0.03°
• Cell volume: 1075.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No