Information card for entry 7212019

Structure parameters

• Formula: C60 H59 Dy2 N6 O25 S3
• Calculated formula: C60 H59 Dy2 N6 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: 12.4996 ± 0.0012 Å
• b: 17.7008 ± 0.0016 Å
• c: 22.3869 ± 0.0018 Å
• α: 79.657 ± 0.007°
• β: 80.452 ± 0.007°
• γ: 81.326 ± 0.008°
• Cell volume: 4767.6 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1711
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No