Information card for entry 7062611

Structure parameters

• Formula: C76 H86 Er2 N12 O2
• Calculated formula: C76 H86 Er2 N12 O2
• Title of publication: Organolanthanide η1- and η5-pyrrolyl half-sandwich compounds: synthesis, structures, and magnetic properties
• Authors of publication: She, Yeye; Lu, Yanhua; Jia, Chaohong; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 15650 - 15657
• a: 11.818 ± 0.004 Å
• b: 17.795 ± 0.007 Å
• c: 18.503 ± 0.007 Å
• α: 76.931 ± 0.014°
• β: 72.258 ± 0.013°
• γ: 73.416 ± 0.013°
• Cell volume: 3510 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.087
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No