Information card for entry 7036188

Structure parameters

• Chemical name: 7f
• Formula: C30 H28 F12 N8 P2 Pd
• Calculated formula: C30 H28 F12 N8 P2 Pd
• Title of publication: Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.
• Authors of publication: Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15938 - 15948
• a: 8.0821 ± 0.0004 Å
• b: 20.514 ± 0.001 Å
• c: 20.6555 ± 0.0009 Å
• α: 90°
• β: 96.704 ± 0.004°
• γ: 90°
• Cell volume: 3401.2 ± 0.3 ų
• Cell temperature: 119.99 ± 0.13 K
• Ambient diffraction temperature: 119.99 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No