Information card for entry 7113958

Structure parameters

• Formula: C86 H136 Gd4 N24 O40
• Calculated formula: C86 H136 Gd4 N24 O40
• Title of publication: A proton-conducting lanthanide metal-organic framework integrated with a dielectric anomaly and second-rder nonlinear optical effect
• Authors of publication: Xiaoqiang Liang; Feng Zhang; Haixia Zhao; Wei Ye; Lasheng Long; Guangshan Zhu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6513
• a: 9.1427 ± 0.0007 Å
• b: 24.503 ± 0.002 Å
• c: 24.588 ± 0.002 Å
• α: 90°
• β: 91.089 ± 0.001°
• γ: 90°
• Cell volume: 5507.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No