Information card for entry 1574883

Structure parameters

• Formula: C20 H19 Cl N2 O5
• Calculated formula: C20 H19 Cl N2 O5
• Title of publication: Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.
• Authors of publication: Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 14115 - 14126
• a: 6.8431 ± 0.0003 Å
• b: 21.1213 ± 0.0009 Å
• c: 26.1977 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3786.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No