Information card for entry 2206225

Structure parameters

• Chemical name: poly[[tris(μ~4~-benzene-1,4-dicarboxylato)bis(μ~2~- N,N-diethylformamide)digadolinium(III)] monohydrate]
• Formula: C34 H36 Gd2 N2 O15
• Calculated formula: C34 H34 Gd2 N2 O15
• Title of publication: A gadolinium-based metal‒organic framework, poly[[tris(μ~4~-benzene-1,4-dicarboxylato)bis(μ~2~-<i>N</i>,<i>N</i>-diethylformamide)digadolinium(III)] monohydrate]
• Authors of publication: Poulsen, Rasmus D.; Overgaard, Jacob; Chevallier, Marie-Agnes; Clausen, Henrik F.; Iversen, Bo B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1337 - m1339
• a: 18.0582 ± 0.0005 Å
• b: 11.4381 ± 0.0003 Å
• c: 18.6791 ± 0.0004 Å
• α: 90°
• β: 108.796 ± 0.001°
• γ: 90°
• Cell volume: 3652.45 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes