Information card for entry 4104028

Structure parameters

• Formula: C47 H51 N O0.5 P2 Pd S2
• Calculated formula: C47 H51 N O0.5 P2 Pd S2
• Title of publication: 2-Indenylidene Pincer Complexes of Zirconium and Palladium
• Authors of publication: Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3493 - 3498
• a: 11.3074 ± 0.0004 Å
• b: 14.8453 ± 0.0005 Å
• c: 25.2573 ± 0.0007 Å
• α: 90°
• β: 90.58 ± 0.002°
• γ: 90°
• Cell volume: 4239.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1535
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No