Information card for entry 7250140

Structure parameters

• Formula: C27 H18 Br5 La N2 O13
• Calculated formula: C27 H12 Br5 La N2 O13
• 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: 12.1099 ± 0.0001 Å
• b: 26.346 ± 0.0002 Å
• c: 10.5165 ± 0.0001 Å
• α: 90°
• β: 108.823 ± 0.001°
• γ: 90°
• Cell volume: 3175.82 ± 0.05 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0263
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0592
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No