Information card for entry 4074712

Structure parameters

• Formula: C47.5 H42 B Cl3 F4 P2 Pd
• Calculated formula: C47.5 H42 B Cl3 F4 P2 Pd
• SMILES: [Pd]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([cH]1[cH]2[c]31cccc[c]451)C.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes
• Authors of publication: Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 571
• a: 11.893 ± 0.0001 Å
• b: 14.2475 ± 0.0001 Å
• c: 14.2624 ± 0.0001 Å
• α: 75.97 ± 0.001°
• β: 84.247 ± 0.001°
• γ: 68.763 ± 0.001°
• Cell volume: 2185.18 ± 0.03 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No