Information card for entry 4514506

Structure parameters

• Formula: C12.75 H8 La N3 O10.5
• Calculated formula: C12.75 H8 La N3 O10.5
• Title of publication: Molecular Sieving and Direct Visualization of CO₂ in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.
• Authors of publication: Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 26
• Pages of publication: 23192 - 23197
• a: 10.3671 ± 0.0006 Å
• b: 17.2965 ± 0.0006 Å
• c: 11.4073 ± 0.0006 Å
• α: 90°
• β: 110.145 ± 0.006°
• γ: 90°
• Cell volume: 1920.36 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No