Information card for entry 4074091

Structure parameters

• Formula: C51 H48 N P Zr
• Calculated formula: C51 H48 N P Zr
• SMILES: [Zr]1([N](=P([C@]21C=Cc1ccccc21)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• 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: 10.7685 ± 0.0004 Å
• b: 16.9735 ± 0.0007 Å
• c: 22.2085 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4059.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No