Information card for entry 7205303

Structure parameters

• Formula: C9 H9 N3 O9 Pr
• Calculated formula: C9 H9 N3 O9 Pr
• 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: 6.002 ± 0.002 Å
• b: 19.161 ± 0.007 Å
• c: 12.255 ± 0.004 Å
• α: 90°
• β: 118.793 ± 0.013°
• γ: 90°
• Cell volume: 1235.1 ± 0.7 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: 0.0528
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No