Information card for entry 7110960

Structure parameters

• Formula: C68 H89 F12 N12 O9 Pd4
• Calculated formula: C68 H89 F12 N12 O9 Pd4
• Title of publication: Pyridine functionalised N-heterocyclic carbene complexes of palladium
• Authors of publication: Tulloch, Arran A. D.; Danopoulos, Andreas A.; Cafferkey, Sean M.; Kleinhenz, Sven; Hursthouse, Michael B.; Tooze, Robert P.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 1247
• a: 9.852 ± 0.002 Å
• b: 20.026 ± 0.004 Å
• c: 21.056 ± 0.004 Å
• α: 89.95 ± 0.03°
• β: 90.19 ± 0.03°
• γ: 90.04 ± 0.03°
• Cell volume: 4154.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.265
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK/a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No