Information card for entry 2237163

Structure parameters

• Chemical name: [2,6-Bis(5-ethoxy-1,3-oxazol-2-yl)-4-methoxyphenyl- κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']bromidopalladium(II)
• Formula: C17 H17 Br N2 O5 Pd
• Calculated formula: C17 H17 Br N2 O5 Pd
• SMILES: [Pd]12([n]3c(oc(OCC)c3)c3cc(OC)cc(c4oc(OCC)c[n]14)c23)Br
• Title of publication: [2,6-Bis(5-ethoxy-1,3-oxazol-2-yl)-4-methoxyphenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']bromidopalladium(II)
• Authors of publication: Nan, Wen-Hui; Tan, Jian-Ping; Luo, Qun-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m31 - m32
• a: 9.0209 ± 0.0003 Å
• b: 9.6544 ± 0.0003 Å
• c: 10.92 ± 0.0003 Å
• α: 87.093 ± 0.002°
• β: 86.974 ± 0.001°
• γ: 85.793 ± 0.002°
• Cell volume: 946.1 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1133
• 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: Yes