Information card for entry 4110586

Structure parameters

• Formula: C34 H42.93 Br1.07 P2 Pd
• Calculated formula: C34 H42.9313 Br1.0687 P2 Pd
• Title of publication: Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene
• Authors of publication: Anupam Singh; Paul R. Sharp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 5998 - 5999
• a: 14.4172 ± 0.0009 Å
• b: 15.0084 ± 0.0009 Å
• c: 15.832 ± 0.001 Å
• α: 90°
• β: 111.105 ± 0.001°
• γ: 90°
• Cell volume: 3195.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No