Information card for entry 7015929

Structure parameters

• Formula: C50 H50 Br N5 Ni P2
• Calculated formula: C50 H50 Br N5 Ni P2
• SMILES: [Ni]12([N](=P(c3ccccc3)(c3ccccc3)c3ccccc3)CC[NH]1CC[N]2=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.N#CC.N#CC.[Br-]
• 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: 13.0021 ± 0.0008 Å
• b: 13.4865 ± 0.0009 Å
• c: 13.6681 ± 0.0009 Å
• α: 94.433 ± 0.003°
• β: 93.317 ± 0.004°
• γ: 107.921 ± 0.003°
• Cell volume: 2265.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No