Information card for entry 2239338

Structure parameters

• Chemical name: (4-Fluorophenyl-κ<i>C</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(trifluoromethyl-κ<i>C</i>)palladium(II)
• Formula: C13 H20 F4 N2 Pd
• Calculated formula: C13 H20 F4 N2 Pd
• SMILES: C[N]1(C)CC[N](C)(C)[Pd]1(c1ccc(cc1)F)C(F)(F)F
• Title of publication: (4-Fluorophenyl-κ<i>C</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(trifluoromethyl-κ<i>C</i>)palladium(II)
• Authors of publication: Du, Youzhi; Zheng, ChangGe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m179
• a: 16.6651 ± 0.0019 Å
• b: 8.3464 ± 0.0009 Å
• c: 11.471 ± 0.0013 Å
• α: 90°
• β: 103.063 ± 0.002°
• γ: 90°
• Cell volume: 1554.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes