Information card for entry 2105254

Structure parameters

• Formula: C36 H42.35 Gd2 N7 O24.67
• Calculated formula: C36 H37 Gd2 N7 O24.68
• 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: 24.9427 ± 0.0002 Å
• b: 16.9411 ± 0.0002 Å
• c: 25.2889 ± 0.0002 Å
• α: 90°
• β: 105.208 ± 0.001°
• γ: 90°
• Cell volume: 10311.8 ± 0.18 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: 0.0538
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes