Information card for entry 2105253

Structure parameters

• Formula: C21 H25.5 Gd N4.5 O12
• Calculated formula: C21 H25.5 Gd N4.5 O12
• Title of publication: Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate
• Authors of publication: Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: 528 - 535
• a: 21.622 ± 0.004 Å
• b: 16.8 ± 0.003 Å
• c: 16.317 ± 0.003 Å
• α: 90°
• β: 119.628 ± 0.004°
• γ: 90°
• Cell volume: 5152.2 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.024
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes