Information card for entry 7013546

Structure parameters

• Formula: C15 H13 Cl2 N4 P Pd
• Calculated formula: C15 H13 Cl2 N4 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](n2ccc3ccc[n]1c23)(n1cccc1)n1cccc1
• 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: 8.74 ± 0.0001 Å
• b: 10.87 ± 0.0001 Å
• c: 17.46 ± 0.0002 Å
• α: 90°
• β: 99.063 ± 0.0004°
• γ: 90°
• Cell volume: 1638.06 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No