Information card for entry 7704491

Structure parameters

• Formula: C51.4 H54.5 Cl0.1 N3 Ni O2.9 P2
• Calculated formula: C51.4 H54.5 Cl0.1 N3 Ni O2.9 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: 11.5572 ± 0.0006 Å
• b: 11.7407 ± 0.0006 Å
• c: 16.9501 ± 0.0008 Å
• α: 100.184 ± 0.002°
• β: 93.978 ± 0.002°
• γ: 102.322 ± 0.002°
• Cell volume: 2197.81 ± 0.19 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: 0.0528
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No