Information card for entry 7131878

Structure parameters

• Formula: C63 H67 Eu2 N3 O20 S6
• Calculated formula: C63 H67 Eu2 N3 O20 S6
• Title of publication: Diastereoselective guest-shape dependent [2+2]-photodimerization of 2-cyclopenten-1-one trapped within a metal-organic framework.
• Authors of publication: Demakov, Pavel A.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 11.9926 ± 0.0005 Å
• b: 12.1214 ± 0.0004 Å
• c: 13.0236 ± 0.0005 Å
• α: 100.912 ± 0.001°
• β: 101.849 ± 0.001°
• γ: 105.29 ± 0.001°
• Cell volume: 1726.83 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No