Information card for entry 4316043

Structure parameters

• Formula: C9 H52 Er N15 O23
• Calculated formula: C9 H30 Er N15 O23
• SMILES: [Er]1234(OC(=O)O1)(OC(=O)O2)(OC(=O)O3)OC(=O)[O]4.NC(=[NH2+])N.[NH2+]=C(N)N.[NH2+]=C(N)N.NC(=[NH2+])N.NC(=[NH2+])N.O.O.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: 8.816 ± 0.0006 Å
• b: 21.0121 ± 0.0014 Å
• c: 19.6496 ± 0.0014 Å
• α: 90°
• β: 94.398 ± 0.001°
• γ: 90°
• Cell volume: 3629.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No