Information card for entry 4074089

Structure parameters

• Formula: C58.5 H54 N P Zr
• Calculated formula: C58.5 H54 N P Zr
• SMILES: [Zr]1([N](c2ccccc2)=P(C21C=Cc1ccccc21)(c1ccccc1)c1ccccc1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Enforced η1-Fluorenyl and Indenyl Coordination to Zirconium: Geometrically Constrained and Sterically Expanded Complexes Derived from the Bifunctional (FluPPh2NAr)−and (IndPPh2NAr)−Ligands
• Authors of publication: Oulié, Pascal; Freund, Christelle; Saffon, Nathalie; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6793
• a: 12.8962 ± 0.0012 Å
• b: 12.9966 ± 0.001 Å
• c: 15.1856 ± 0.0012 Å
• α: 82.994 ± 0.005°
• β: 78.34 ± 0.005°
• γ: 68.739 ± 0.005°
• Cell volume: 2319.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2215
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.628
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No