Information card for entry 7205304

Structure parameters

• Formula: C9 H9 N3 O9 Sm
• Calculated formula: C9 H9 N3 O9 Sm
• Title of publication: Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer
• Authors of publication: Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 985
• a: 6.0008 ± 0.0004 Å
• b: 19.0754 ± 0.0014 Å
• c: 12.1796 ± 0.0007 Å
• α: 90°
• β: 119.05 ± 0.003°
• γ: 90°
• Cell volume: 1218.78 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No