Information card for entry 2240676

Structure parameters

• Chemical name: (4-Fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)
• Formula: C12 H20 F I N2 Pd
• Calculated formula: C12 H20 F I N2 Pd
• SMILES: [Pd]1(I)([N](CC[N]1(C)C)(C)C)c1ccc(cc1)F
• Title of publication: Crystal structure of (4-fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)
• Authors of publication: Yan, Jin-Jin; Zheng, Chang-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m124 - m125
• a: 9.456 ± 0.002 Å
• b: 12.802 ± 0.003 Å
• c: 24.953 ± 0.005 Å
• α: 90°
• β: 93.152 ± 0.002°
• γ: 90°
• Cell volume: 3016.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes