Information card for entry 4316042

Structure parameters

• Formula: C16 H43 Dy N12 O27
• Calculated formula: C8 H24 Dy N12 O25
• SMILES: C1(O[Dy]234(O1)([OH2])(OC(=O)O2)(OC(O3)=O)OC(=O)O4)=O.C(=[NH2+])(N)N.O.O.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Structural Characterization of Molecular Dy(III) and Er(III) Tetra-Carbonates
• Authors of publication: George S. Goff; Michael R. Cisneros; Chandra Kluk; Kevin Williamson; Brian Scott; Sean Reilly; Wolfgang Runde
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6558 - 6564
• a: 15.3199 ± 0.0011 Å
• b: 15.3199 ± 0.0011 Å
• c: 7.5129 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.3 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.2652
• Goodness-of-fit parameter for all reflections included in the refinement: 2.661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No