Information card for entry 7212021

Structure parameters

• Formula: C60 H60 N6 O24 Pr2 S3
• Calculated formula: C60 H60 N6 O24 Pr2 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: 35.0141 ± 0.0019 Å
• b: 14.9351 ± 0.0008 Å
• c: 30.3411 ± 0.0017 Å
• α: 90°
• β: 97.422 ± 0.001°
• γ: 90°
• Cell volume: 15733.6 ± 1.5 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: 0.0768
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No