Information card for entry 7015052

Structure parameters

• Formula: C44 H37 Cl N2 P2 Pd
• Calculated formula: C44 H37 Cl N2 P2 Pd
• SMILES: [Pd]12(Cl)[N](=P(c3ccccc3)(c3ccccc3)c3ccccc3)Cc3c2c(ccc3)C[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Non-innocent reactivity of bis-phosphinimine pincer ligands in palladium complexes
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2419
• a: 14.29 ± 0.0006 Å
• b: 18.7692 ± 0.0008 Å
• c: 14.7213 ± 0.0006 Å
• α: 90°
• β: 113.361 ± 0.002°
• γ: 90°
• Cell volume: 3624.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No