Information card for entry 4078849

Structure parameters

• Formula: C42 H49 I3 N7 P Pd
• Calculated formula: C41 H47.5 I3 N6.5 P Pd
• Title of publication: Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex
• Authors of publication: Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5463
• a: 13.782 ± 0.003 Å
• b: 15.694 ± 0.003 Å
• c: 22.394 ± 0.005 Å
• α: 79.906 ± 0.003°
• β: 88.01 ± 0.003°
• γ: 86.666 ± 0.003°
• Cell volume: 4759.2 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No