Information card for entry 4347398

Structure parameters

• Formula: C55.5 H39.5 Ba3 La0.5 N2 O18.5
• Calculated formula: C55.5 H36.5 Ba3 La0.5 N O18.5
• Title of publication: Heterometallic Alkaline Earth-Lanthanide Ba(II)-La(III) Microporous Metal-Organic Framework as Bifunctional Luminescent Probes of Al(3+) and MnO4(.).
• Authors of publication: Ding, Bin; Liu, Shi Xin; Cheng, Yue; Guo, Chao; Wu, Xiang Xia; Guo, Jian Hua; Liu, Yuan Yuan; Li, Yan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4391 - 4402
• a: 10.7045 ± 0.0004 Å
• b: 34.7385 ± 0.0012 Å
• c: 17.986 ± 0.0006 Å
• α: 90°
• β: 101.069 ± 0.001°
• γ: 90°
• Cell volume: 6563.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No