Information card for entry 7250138

Structure parameters

• Formula: C46 H50 Cl8 La2 N6 O29
• Calculated formula: C46 H50 Cl8 La2 N6 O29
• Title of publication: The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks
• Authors of publication: Feng, Yuying; Hua, Carol; van Koeverden, Martin P.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 2559 - 2569
• a: 13.0706 ± 0.0002 Å
• b: 13.8311 ± 0.0002 Å
• c: 18.0949 ± 0.0002 Å
• α: 92.541 ± 0.001°
• β: 90.289 ± 0.001°
• γ: 101.008 ± 0.001°
• Cell volume: 3207.56 ± 0.08 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 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: 0.0481
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No