Information card for entry 7130799

Structure parameters

• Formula: C15 H18 Er N3 O6 S3
• Calculated formula: C15 H18 Er N3 O6 S3
• SMILES: [Er]123(Sc4n(=[O]3)cccc4)(Sc3n(=[O]1)cccc3)(Sc1n(=[O]2)cccc1)([OH2])[OH2].O
• Title of publication: Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex
• Authors of publication: Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.4437 ± 0.0001 Å
• b: 11.098 ± 0.0002 Å
• c: 13.1205 ± 0.0002 Å
• α: 111.41 ± 0.001°
• β: 94.023 ± 0.001°
• γ: 91.07 ± 0.001°
• Cell volume: 1005.46 ± 0.03 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No