Information card for entry 4114954

Structure parameters

• Formula: C65 H108 P4 Pd2
• Calculated formula: C65 H108 P4 Pd2
• Title of publication: Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex
• Authors of publication: Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8348 - 8360
• a: 13.9055 ± 0.0002 Å
• b: 19.0192 ± 0.0002 Å
• c: 24.0778 ± 0.0003 Å
• α: 80.6763 ± 0.0005°
• β: 85.7074 ± 0.0004°
• γ: 89.8127 ± 0.0006°
• Cell volume: 6265.88 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections: 2.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.8672
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No