Information card for entry 2012702

Structure parameters

• Chemical name: [2,6‒Bis((dimethylamino‒κN)methyl)phenyl‒κC]iodopalladium(II) bis(diiodine)
• Formula: C12 H19 I5 N2 Pd
• Calculated formula: C12 H19 I5 N2 Pd
• SMILES: I[Pd]12[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C.II.II
• Title of publication: {2,6-Bis[(dimethylamino-κ<i>N</i>)methyl]phenyl-κ<i>C</i>}iodopalladium(II) bis(diiodine)
• Authors of publication: Mills, Allison M.; Beek, Johannus A. M. van; Koten, Gerard van; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m304 - m306
• a: 9.585 ± 0.002 Å
• b: 15.51 ± 0.002 Å
• c: 15.865 ± 0.002 Å
• α: 90°
• β: 114.198 ± 0.011°
• γ: 90°
• Cell volume: 2151.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes