Information card for entry 7715379

Structure parameters

• Formula: C68 H74 F4 N16 O60 Tb
• Calculated formula: C68 H74 F4 N16 O16 Tb
• SMILES: [Tb]1234([O]=C5C(C(=O)O1)=CN1N(C)COc6c(N7CC[NH+](C)CC7)c(F)cc5c16)([O]=C1C(C(=O)O2)=CN2N(COc5c(N6CCN(CC6)C)c(F)cc1c25)C)([O]=C1C(C(=O)O3)=CN2N(C)COc3c(N5CC[NH+](C)CC5)c(F)cc1c23)[O]=C1C(C(=O)O4)=CN2N(C)COc3c(N4CC[NH+](C)CC4)c(F)cc1c23
• 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: 15.045 ± 0.0009 Å
• b: 18.2526 ± 0.0009 Å
• c: 21.3124 ± 0.001 Å
• α: 69.465 ± 0.005°
• β: 73.894 ± 0.005°
• γ: 66.707 ± 0.005°
• Cell volume: 4968.1 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No