Information card for entry 2105255

Structure parameters

• Formula: C76.5 H92.5 Gd4 N15.5 O49.5
• Calculated formula: C76.5 H88.5 Gd4 N15.5 O49.5
• 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: 14.3239 ± 0.0017 Å
• b: 15.3167 ± 0.0018 Å
• c: 25.468 ± 0.003 Å
• α: 87.994 ± 0.002°
• β: 85.151 ± 0.002°
• γ: 63.419 ± 0.002°
• Cell volume: 4979.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0576
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes