Information card for entry 7062647

Structure parameters

• Formula: C42 H62 Er2 O34
• Calculated formula: C42 H62 Er2 O34
• Title of publication: 4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour
• Authors of publication: Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 16843 - 16854
• a: 10.8172 ± 0.0002 Å
• b: 11.3109 ± 0.0002 Å
• c: 11.4457 ± 0.0001 Å
• α: 90.531 ± 0.001°
• β: 101.725 ± 0.001°
• γ: 105.321 ± 0.001°
• Cell volume: 1319.51 ± 0.04 ų
• Cell temperature: 123.01 ± 0.13 K
• Ambient diffraction temperature: 123.01 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No