Information card for entry 7221624

Structure parameters

• Formula: C12.4 H21.2 Cu3 La O23.7 S1.7
• Calculated formula: C13.98 Cu3 La O21.5 S2.49
• 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: 17.5235 ± 0.0011 Å
• b: 17.5235 ± 0.0011 Å
• c: 17.5235 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5381 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No