Information card for entry 7041069

Structure parameters

• Formula: C60 H58 Ce N4 Na O2
• Calculated formula: C60 H58 Ce N4 Na O2
• Title of publication: Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.
• Authors of publication: Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18653 - 18660
• a: 28.2049 ± 0.0003 Å
• b: 28.2049 ± 0.0003 Å
• c: 26.1852 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20830.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No