Information card for entry 7008712

Structure parameters

• Formula: C69 H100 Cl N2 O3 P Pd
• Calculated formula: C69 H100 Cl N2 O3 P Pd
• Title of publication: N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes.
• Authors of publication: Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Frost, Robert M.; Horton, Peter N.; Hursthouse, Michael B.; López-Nicolás, Rosa-María
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 16
• Pages of publication: 2774 - 2779
• a: 21.0783 ± 0.0016 Å
• b: 21.0783 ± 0.0016 Å
• c: 29.741 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13213.8 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No