Information card for entry 4077035

Structure parameters

• Formula: C25 H35 B Cl2 F4 N2 O Pd
• Calculated formula: C25 H35 B Cl2 F4 N2 O Pd
• Title of publication: Ring Methyl Activation of 1,2-Dimethyl-3,4-di(tert-butyl)cyclobutadiene Complexes of Palladium Givingexo-Methylene-η3-cyclobutenyl Complexes of Palladium
• Authors of publication: Mashima, Kazushi; Shimizu, Daisuke; Yamagata, Tsuneaki; Tani, Kazuhide
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5136
• a: 11.644 ± 0.006 Å
• b: 13.014 ± 0.009 Å
• c: 10.624 ± 0.011 Å
• α: 112.88 ± 0.06°
• β: 91.91 ± 0.07°
• γ: 91.42 ± 0.05°
• Cell volume: 1481 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No