Information card for entry 2204511

Structure parameters

• Chemical name: Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III)
• Formula: C17 H21 Gd O11
• Calculated formula: C17 H21 Gd O11
• SMILES: C[O]1c2c(ccc(c2)C=O)O[Gd]21(OC=O)([OH2])([OH2])([O](C)c1c(ccc(c1)C=O)O2)[OH2]
• Title of publication: Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III)
• Authors of publication: Gao, Shan; Huo, Li-Hua; Zhang, Xian-Fa; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1738 - m1740
• a: 7.7843 ± 0.0016 Å
• b: 21.977 ± 0.004 Å
• c: 11.129 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1903.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes