Information card for entry 7704493

Structure parameters

• Formula: C45 H41 N3 Ni P2
• Calculated formula: C45 H41 N3 Ni P2
• SMILES: [Ni]123[N](=P(c4ccccc4)(c4ccccc4)C1)c1c(N3c3c([N]2=P(c2ccccc2)(c2ccccc2)C)cccc3)cccc1.c1(ccccc1)C
• 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: 10.0629 ± 0.0004 Å
• b: 12.4737 ± 0.0005 Å
• c: 15.2136 ± 0.0006 Å
• α: 74.272 ± 0.002°
• β: 87.324 ± 0.002°
• γ: 79.697 ± 0.002°
• Cell volume: 1808.5 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No