Information card for entry 7060377

Structure parameters

• Common name: PBIA-Tm1D
• Chemical name: catena Thulium (III) - (2,2'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dipropionate)-2-dimethylformamide solvate-1-NO3 solvate
• Formula: C22 H24 N5 O13 Tm
• Calculated formula: C22 H24 N5 O13 Tm
• Title of publication: Tuning dimensionality between 2D and 1D MOFs by lanthanide contraction and ligand-to-metal ratio
• Authors of publication: González Chávez, Fernando; Beltrán, Hiram Isaac
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6600 - 6610
• a: 8.6753 ± 0.0005 Å
• b: 12.6601 ± 0.0007 Å
• c: 13.8621 ± 0.0007 Å
• α: 64.282 ± 0.002°
• β: 76.253 ± 0.002°
• γ: 84.09 ± 0.002°
• Cell volume: 1332.37 ± 0.13 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 177.79 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0724
• 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: Yes
• Has Fobs: No