Information card for entry 7715381

Structure parameters

• Formula: C68 H73 F4 N16 O16 Y
• Calculated formula: C68 H73 F4 N16 O16 Y
• SMILES: [Y]1234(OC(=O)C5=CN6N(C)COc7c(N8CCN(C)CC8)c(F)cc(c67)C5=[O]1)(OC(=O)C1=CN5N(C)COc6c5c(cc(F)c6N5CCN(C)CC5)C1=[O]2)(OC(=O)C1=CN2N(C)COc5c(N6CCN(C)CC6)c(F)cc(C1=[O]3)c25)OC(=O)C1=CN2N(C)COc3c(N5CC[NH+](C)CC5)c(F)cc(C1=[O]4)c23
• 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: 15.0715 ± 0.0011 Å
• b: 17.909 ± 0.0018 Å
• c: 21.361 ± 0.002 Å
• α: 95.794 ± 0.008°
• β: 107.599 ± 0.007°
• γ: 113.372 ± 0.008°
• Cell volume: 4881.5 ± 0.9 ų
• Cell temperature: 149.9 ± 0.2 K
• Ambient diffraction temperature: 149.9 ± 0.2 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: 0.2257
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.3001
• Weighted residual factors for all reflections included in the refinement: 0.3591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No