Information card for entry 7008714

Structure parameters

• Formula: C67 H98 Cl N2 O4 P Pd
• Calculated formula: C67 H98 Cl N2 O4 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: 12.9482 ± 0.0013 Å
• b: 13.284 ± 0.002 Å
• c: 37.944 ± 0.008 Å
• α: 90°
• β: 96.787 ± 0.011°
• γ: 90°
• Cell volume: 6480.8 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No