Information card for entry 7052263

Structure parameters

• Formula: C22 H23 F6 N2 P Pd
• Calculated formula: C22 H23 F6 N2 P Pd
• SMILES: [CH2]1=[C]2(C[Pd]213[N](=C1C(c2c4c1cccc4ccc2)=[N]3C1CC1)C1CC1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)
• Authors of publication: Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1046
• a: 8.6005 ± 0.0014 Å
• b: 13.217 ± 0.002 Å
• c: 18.918 ± 0.003 Å
• α: 90°
• β: 91.575 ± 0.004°
• γ: 90°
• Cell volume: 2149.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No