Information card for entry 7013552

Structure parameters

• Formula: C20 H20 F3 N4 O4 P Pd S
• Calculated formula: C20 H20 F3 N4 O4 P Pd S
• SMILES: [Pd]12([P](n3ccc4c3[n]1ccc4)(n1cccc1)n1cccc1)[O]=C(CC2)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The synthesis and late transition metal chemistry of 7-aza-N-indolyl phosphines and the activity of their palladium complexes in CO?ethene co-polymerisation
• Authors of publication: Burrows, Andrew D.; Mahon, Mary F.; Varrone, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4718
• a: 8.353 ± 0.0002 Å
• b: 11.223 ± 0.0004 Å
• c: 13.795 ± 0.0005 Å
• α: 107.832 ± 0.002°
• β: 103.059 ± 0.002°
• γ: 94.394 ± 0.002°
• Cell volume: 1184.34 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No