Information card for entry 4074086

Structure parameters

• Formula: C34 H30 N P
• Calculated formula: C34 H30 N P
• SMILES: P(=Nc1c(cc(cc1C)C)C)(C1c2ccccc2c2ccccc12)(c1ccccc1)c1ccccc1
• 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: 11.8094 ± 0.0014 Å
• b: 14.5658 ± 0.0018 Å
• c: 15.5167 ± 0.0019 Å
• α: 88.765 ± 0.002°
• β: 87.888 ± 0.002°
• γ: 79.861 ± 0.002°
• Cell volume: 2625.3 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0805
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No