Information card for entry 7130797

Structure parameters

• Chemical name: [Nd(mpo)2(mu-O-mpo)(H2O)]2
• Formula: C15 H14 N3 Nd O4 S3
• Calculated formula: C15 H14 N3 Nd O4 S3
• 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: 10.1252 ± 0.0002 Å
• b: 9.9839 ± 0.0002 Å
• c: 19.5248 ± 0.0005 Å
• α: 90°
• β: 95.005 ± 0.001°
• γ: 90°
• Cell volume: 1966.22 ± 0.07 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No