Information card for entry 7015825

Structure parameters

• Formula: C50 H41 Cl2 N3 O P2 Pd
• Calculated formula: C50 H38 Cl2 N3 O P2 Pd
• SMILES: P(=[N]1[Pd](Cl)(Cl)[N](=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2Oc2c1cccc2)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.
• Authors of publication: Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4918 - 4925
• a: 20.2104 ± 0.0007 Å
• b: 24.118 ± 0.001 Å
• c: 20.0246 ± 0.0008 Å
• α: 90°
• β: 118.446 ± 0.002°
• γ: 90°
• Cell volume: 8582.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No