Information card for entry 4329368

Structure parameters

• Formula: C17.3 H10.6 N Nd O8 S0.65
• Calculated formula: C17.3 H10.6 N Nd O8 S0.65
• Title of publication: Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange
• Authors of publication: Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6308 - 6314
• a: 28.5413 ± 0.0007 Å
• b: 14.9992 ± 0.0004 Å
• c: 13.2796 ± 0.0005 Å
• α: 90°
• β: 100.32 ± 0.003°
• γ: 90°
• Cell volume: 5593 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No