Information card for entry 4071102

Structure parameters

• Formula: C42 H43 Br N2 O2
• Calculated formula: C42 H43 Br N2 O2
• Title of publication: Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents
• Authors of publication: Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2549
• a: 8.3438 ± 0.0001 Å
• b: 36.4734 ± 0.0004 Å
• c: 11.8353 ± 0.0001 Å
• α: 90°
• β: 105.148 ± 0.0004°
• γ: 90°
• Cell volume: 3476.65 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No