Information card for entry 7006029

Structure parameters

• Formula: C124 H120 Cl2 F12 N16 O20 P4 Pd4 S4
• Calculated formula: C124 H112 Cl2 F12 N16 O20 P4 Pd4 S4
• Title of publication: N,N-Dialkyl-2-iodoanilines: a versatile source for the synthesis of Pd(ii) complexes. Synthesis of novel OCP- and CCN-pincer palladium complexes.
• Authors of publication: Solé, Daniel; Solans, Xavier; Font-Bardia, Mercé
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4286 - 4292
• a: 14.493 ± 0.004 Å
• b: 14.905 ± 0.002 Å
• c: 33.266 ± 0.007 Å
• α: 90.8 ± 0.02°
• β: 96.83 ± 0.02°
• γ: 91.37 ± 0.02°
• Cell volume: 7132 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2372
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No