Information card for entry 7013550

Structure parameters

• Formula: C18 H16 F3 N4 O4 P Pd S
• Calculated formula: C18 H16 F3 N4 O4 P Pd S
• SMILES: [Pd]1([P](n2c3[n]1cccc3cc2)(n1cccc1)n1cccc1)(OS(=O)(=O)C(F)(F)F)C(=O)C
• 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: 11.413 ± 0.0001 Å
• b: 13.465 ± 0.0002 Å
• c: 21.96 ± 0.0003 Å
• α: 88.813 ± 0.0005°
• β: 77.869 ± 0.0005°
• γ: 81.848 ± 0.0006°
• Cell volume: 3265.88 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No