Information card for entry 7043838

Structure parameters

• Formula: C30 H31 I2 N3 O8 Pd
• Calculated formula: C30 H31 I2 N3 O8 Pd
• Title of publication: Reactivity of N-heterocyclic carbene‒pyridine palladacyclopentadiene complexes toward halogen addition. The unpredictable course of the reaction
• Authors of publication: Visentin, Fabiano; Santo, Claudio; Scattolin, Thomas; Demitri, Nicola; Canovese, Luciano
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.777 ± 0.004 Å
• b: 15.975 ± 0.003 Å
• c: 20.563 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6497 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No