Information card for entry 4110875

Structure parameters

• Formula: C27 H45 B Cl P Pd
• Calculated formula: C27 H45 B Cl P Pd
• Title of publication: On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2
• Authors of publication: Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12056 - 12057
• a: 8.8669 ± 0.0006 Å
• b: 19.9702 ± 0.0015 Å
• c: 15.3635 ± 0.0011 Å
• α: 90°
• β: 97.896 ± 0.001°
• γ: 90°
• Cell volume: 2694.7 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No