Information card for entry 7250291

Structure parameters

• Formula: C49 H34 Br4 Cd2 N6 O11
• Calculated formula: C48 H34 Br4 Cd2 N6 O12
• Title of publication: A Cd-based complex as a multifunctional fluorescent probe for the detection of Fe3+, ceftriaxone sodium (CRO) and l-aspartic acid (l-Asp)
• Authors of publication: Song, Jian-Fei; Chen, Jia-Li; Guo, Gui-Quan; Zhu, Hong-Yan; Zhou, Si-Ying; Zheng, Xin-Rong; Zhang, Xiu-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 3537 - 3544
• a: 10.8812 ± 0.0001 Å
• b: 12.4352 ± 0.0001 Å
• c: 20.2017 ± 0.0002 Å
• α: 96.673 ± 0.001°
• β: 94.802 ± 0.001°
• γ: 90.381 ± 0.001°
• Cell volume: 2705.07 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No