Information card for entry 7243538

Structure parameters

• Formula: C15 H13 Cd N2 O5 S
• Calculated formula: C15 H13 Cd N2 O5 S
• Title of publication: Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media
• Authors of publication: Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 7397 - 7405
• a: 6.2638 ± 0.0003 Å
• b: 10.7726 ± 0.0004 Å
• c: 12.388 ± 0.0004 Å
• α: 111.317 ± 0.003°
• β: 96.567 ± 0.003°
• γ: 105.524 ± 0.004°
• Cell volume: 729.15 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0218
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No