Information card for entry 7221625

Structure parameters

• Formula: C13 H19 Ce Cu3 O22 S2
• Calculated formula: C10.98 Ce Cu3 O20 S0.99
• Title of publication: Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium
• Authors of publication: Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 6555
• a: 17.618 ± 0.0002 Å
• b: 17.618 ± 0.0002 Å
• c: 17.618 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5468.52 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No