Information card for entry 7015831

Structure parameters

• Formula: C40 H40 Cl F6 N3 Ni P3
• Calculated formula: C40 H39 Cl F6 N3 Ni P3
• SMILES: [Ni]12(Cl)[NH](CC[N]2=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.0118 ± 0.0007 Å
• b: 13.1874 ± 0.001 Å
• c: 16.4704 ± 0.0012 Å
• α: 67.1 ± 0.004°
• β: 89.195 ± 0.004°
• γ: 77.437 ± 0.004°
• Cell volume: 1949.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1763
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No