Information card for entry 7062080

Structure parameters

• Chemical name: CUST-751
• Formula: C49 H53 N15 O24 S2 Zn3
• Calculated formula: C49 H40.25 N15 O19 S2 Zn3
• Title of publication: Two new transition metal–organic frameworks as multiresponsive fluorescence sensors for detecting Fe3+, Cr2O72− and TNP
• Authors of publication: Li, Jun-Jun; Feng, Zhen-Jie; Wu, Xue-Song; Li, Ying; Wu, Di; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 47
• Pages of publication: 22739 - 22745
• a: 9.681 ± 0.005 Å
• b: 26.421 ± 0.005 Å
• c: 12.241 ± 0.005 Å
• α: 90°
• β: 106.845 ± 0.005°
• γ: 90°
• Cell volume: 2997 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No