Information card for entry 7212017

Structure parameters

• Formula: C60 H60 Ce2 N6 O24 S3
• Calculated formula: C60 H60 Ce2 N6 O24 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: 19.711 ± 0.004 Å
• b: 18.928 ± 0.004 Å
• c: 23.826 ± 0.005 Å
• α: 90°
• β: 116.74 ± 0.03°
• γ: 90°
• Cell volume: 7939 ± 4 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No