Information card for entry 2021266

Structure parameters

• Chemical name: Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]
• Formula: C36 H25 Gd N6 O14
• Calculated formula: C36 H25 Gd N6 O14
• Title of publication: Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
• Authors of publication: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 14.9709 ± 0.0018 Å
• b: 14.9709 ± 0.0018 Å
• c: 27.952 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5425.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes