Information card for entry 4307229

Structure parameters

• Formula: C15 H19.5 Nd2.5 O16.5 S3
• Calculated formula: C15 H19.5 Nd2.5 O16.5 S3
• Title of publication: Rare Earth Arenedisulfonate Metal-Organic Frameworks: An Approach toward Polyhedral Diversity and Variety of Functional Compounds
• Authors of publication: Felipe Gándara; Alberto García-Cortés; Concepción Cascales; Berta Gómez-Lor; Enrique Gutiérrez-Puebla; Marta Iglesias; Angeles Monge; Natalia Snejko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3475 - 3484
• a: 34.228 ± 0.004 Å
• b: 5.9374 ± 0.0007 Å
• c: 24.332 ± 0.003 Å
• α: 90°
• β: 110.395 ± 0.002°
• γ: 90°
• Cell volume: 4634.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No