Information card for entry 7060070

Structure parameters

• Formula: C78 H54 Mn3 N2 O15
• Calculated formula: C78 H48 Mn3 N2 O15
• Title of publication: Structure, photoluminescence, and magnetic properties of a Mn(ii)-based metal‒organic framework
• Authors of publication: Kim, Hyojin; Eom, Sunhwi; Park, Sora; Kang, Dong Won; Wang, Mengmeng; Kim, Youngseo; Park, Sungnam; Shi, Wei; Hong, Chang Seop
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18694 - 18702
• a: 10.168 ± 0.002 Å
• b: 37.606 ± 0.008 Å
• c: 38.894 ± 0.008 Å
• α: 90°
• β: 95.97 ± 0.03°
• γ: 90°
• Cell volume: 14792 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No