Information card for entry 4514500

Structure parameters

• Formula: C34 H32 Cd2 N8 O10
• Calculated formula: C34 H32 Cd2 N8 O10
• SMILES: O1C2=[O][Cd]341([O]=C(O4)C)([n]1ccncc1c1ccn(Cc4ccc(cc4)C4=[O][Cd]56([n]7ccncc7c7ccn(Cc8ccc2cc8)[n]67)(O4)([O]=C(O5)C)[OH2])[n]31)[OH2]
• Title of publication: Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.
• Authors of publication: Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 39
• Pages of publication: 36081 - 36089
• a: 7.9887 ± 0.0015 Å
• b: 8.5278 ± 0.0016 Å
• c: 15.021 ± 0.003 Å
• α: 97.619 ± 0.002°
• β: 100.389 ± 0.002°
• γ: 108.692 ± 0.002°
• Cell volume: 933.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No