Information card for entry 7715376

Structure parameters

• Formula: C68 H77 Dy F4 N16 O34
• Calculated formula: C68 H77 Dy F4 N16 O16
• SMILES: [Dy]1234(OC(=O)C5=CN6N(COc7c(N8CC[NH+](C)CC8)c(F)cc(C5=[O]1)c67)C)(OC(=O)C1=CN5N(COc6c(N7CC[NH+](C)CC7)c(F)cc(C1=[O]2)c56)C)(OC(=O)C1C(=[O]3)c2cc(F)c([NH+]3CC[NH+](C)CC3)c3OCN(N(C=1)c23)C)OC(=O)C1C(=[O]4)c2cc(F)c(N3CC[NH+](C)CC3)c3OCN(N(C=1)c23)C
• Title of publication: Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.
• Authors of publication: Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4204 - 4213
• a: 15.0203 ± 0.0007 Å
• b: 18.0734 ± 0.0008 Å
• c: 21.3637 ± 0.0008 Å
• α: 96.103 ± 0.004°
• β: 107.072 ± 0.004°
• γ: 114.016 ± 0.004°
• Cell volume: 4891.8 ± 0.5 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.1221
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No