Information card for entry 4104026

Structure parameters

• Formula: C59 H69 Cl4 N5 P2 Zr
• Calculated formula: C59 H69 Cl4 N5 P2 Zr
• 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: 10.0482 ± 0.001 Å
• b: 14.0223 ± 0.0014 Å
• c: 21.011 ± 0.002 Å
• α: 94.687 ± 0.002°
• β: 103.329 ± 0.002°
• γ: 91.388 ± 0.002°
• Cell volume: 2868.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No