Information card for entry 7131877

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: 11.885 ± 0.0003 Å
• b: 12.0883 ± 0.0003 Å
• c: 13.0418 ± 0.0002 Å
• α: 99.461 ± 0.002°
• β: 101.729 ± 0.002°
• γ: 105.724 ± 0.002°
• Cell volume: 1717.39 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No