Information card for entry 7062079

Structure parameters

• Chemical name: CUST-752
• Formula: C38 H36 Cd3 N10 O20 S2
• Calculated formula: C38 H32 Cd3 N10 O20 S2
• 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: 8.8442 ± 0.0016 Å
• b: 10.1875 ± 0.0016 Å
• c: 14.161 ± 0.003 Å
• α: 99.619 ± 0.009°
• β: 104.626 ± 0.01°
• γ: 108.469 ± 0.008°
• Cell volume: 1127.7 ± 0.4 ų
• Cell temperature: 294.91 K
• Ambient diffraction temperature: 294.91 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: 0.0768
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No