Information card for entry 7015829

Structure parameters

• Formula: C22 H51 Cl2 N3 Ni P2
• Calculated formula: C22 H51 Cl2 N3 Ni P2
• SMILES: [Ni]12(Cl)[N](=P(C(C)C)(C(C)C)C(C)C)CC[NH]2CC[N]1=P(C(C)C)(C(C)C)C(C)C.[Cl-]
• 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: 8.6286 ± 0.0006 Å
• b: 32.013 ± 0.002 Å
• c: 10.8902 ± 0.0008 Å
• α: 90°
• β: 99.15 ± 0.002°
• γ: 90°
• Cell volume: 2969.9 ± 0.4 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: 0.0487
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No