Information card for entry 7704492

Structure parameters

• Formula: C42 H40 N3 Na Ni O P2
• Calculated formula: C42 H40 N3 Na Ni O P2
• Title of publication: Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.
• Authors of publication: Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7796 - 7806
• a: 10.7438 ± 0.0003 Å
• b: 12.7981 ± 0.0004 Å
• c: 14.4155 ± 0.0005 Å
• α: 69.677 ± 0.001°
• β: 83.88 ± 0.001°
• γ: 74.497 ± 0.001°
• Cell volume: 1790.91 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0649
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No