Information card for entry 7212020

Structure parameters

• Formula: C63 H67 La2 N7 O25 S3
• Calculated formula: C63 H67 La2 N7 O25 S3
• Title of publication: Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs
• Authors of publication: Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1034
• a: 19.5011 ± 0.0013 Å
• b: 16.7853 ± 0.0012 Å
• c: 24.295 ± 0.0017 Å
• α: 90°
• β: 112.891 ± 0.002°
• γ: 90°
• Cell volume: 7326.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1485
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.40759 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No