Information card for entry 7250133

Structure parameters

• Formula: C27 H15.5 Br5 La N2 O11.75
• Calculated formula: C27 H12 Br5 La N2 O10
• 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: 12.011 ± 0.002 Å
• b: 26.422 ± 0.005 Å
• c: 10.489 ± 0.002 Å
• α: 90°
• β: 108.86 ± 0.03°
• γ: 90°
• Cell volume: 3150 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0746
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.710917 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No