Information card for entry 4515363

Structure parameters

• Formula: C84 H59 Cd3 N O15
• Calculated formula: C84 H55 Cd3 N O15
• Title of publication: Discriminative Molecular Detection Based on Competitive Absorption by a Luminescent Metal-Organic Framework.
• Authors of publication: Eom, Sunhwi; Lee, Han Geul; Kang, Dong Won; Kang, Minjung; Kim, Hyojin; Kim, Youngseo; Park, Sungnam; Moon, Dohyun; Hong, Chang Seop
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 47
• Pages of publication: 40372 - 40377
• a: 16.95 ± 0.003 Å
• b: 42.69 ± 0.009 Å
• c: 33.423 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24185 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No