Information card for entry 7000804

Structure parameters

• Formula: C27 H29 Cl2 F6 N3 O4 Pd
• Calculated formula: C27 H29 Cl2 F6 N3 O4 Pd
• Title of publication: Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles
• Authors of publication: Han, Yuan; Huynh, Han Vinh
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2201 - 2209
• a: 8.5994 ± 0.001 Å
• b: 10.3393 ± 0.0012 Å
• c: 19.243 ± 0.002 Å
• α: 88.083 ± 0.002°
• β: 85.83 ± 0.002°
• γ: 73.5 ± 0.002°
• Cell volume: 1636 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No