Information card for entry 7015928

Structure parameters

• Formula: C46 H43 F7 N3 Ni P3
• Calculated formula: C46 H43 F7 N3 Ni P3
• SMILES: [Ni]12([N](=P(c3ccccc3)(c3ccccc3)c3ccccc3)CC[NH]1CC[N]2=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oxidative addition of aryl halides: routes to mono- and dimetallic nickel amino-bis-phosphinimine complexes.
• Authors of publication: Cariou, Renan; Graham, Todd W.; Dahcheh, Fatme; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5419 - 5422
• a: 16.43 ± 0.0005 Å
• b: 12.4506 ± 0.0003 Å
• c: 20.3608 ± 0.0005 Å
• α: 90°
• β: 91.52 ± 0.002°
• γ: 90°
• Cell volume: 4163.61 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1281
• 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