Information card for entry 2212800

Structure parameters

• Chemical name: {4-Allyloxy-2,6-bis[(dimethylamino)methyl]phenyl- κ^3^C^1^,N,N'}iodopalladium(II)
• Formula: C15 H23 I N2 O Pd
• Calculated formula: C15 H23 I N2 O Pd
• SMILES: I[Pd]12[N](Cc3c2c(cc(OCC=C)c3)C[N]1(C)C)(C)C
• Title of publication: {4-Allyloxy-2,6-bis[(dimethylamino)methyl]phenyl-κ^3^<i>C</i>^1^,<i>N</i>,<i>N</i>'}iodidopalladium(II)
• Authors of publication: Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.; Dijkstra, Harm P.; Koten, Gerard von
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1096 - m1098
• a: 8.9404 ± 0.0001 Å
• b: 12.7563 ± 0.0001 Å
• c: 15.0229 ± 0.0002 Å
• α: 90°
• β: 90.9663 ± 0.0007°
• γ: 90°
• Cell volume: 1713.06 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0212
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes