Information card for entry 7715378

Structure parameters

• Formula: C68 H85 F4 N16 O44 Tm
• Calculated formula: C68 H75 F4 N16 O16 Tm
• SMILES: [Tm]1234([O]=C5c6cc(F)c(N7CC[NH+](C)CC7)c7OCN(N(C=C5C(=O)O1)c67)C)([O]=C1c5cc(F)c(N6CCN(C)CC6)c6OCN(N(C=C1C(=O)O2)c56)C)([O]=C1c2cc(F)c(N5CC[NH+](C)CC5)c5OCN(N(C=C1C(=O)O3)c25)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: 15.0283 ± 0.0006 Å
• b: 18.229 ± 0.0007 Å
• c: 21.2597 ± 0.0009 Å
• α: 69.501 ± 0.004°
• β: 74.423 ± 0.004°
• γ: 67.627 ± 0.004°
• Cell volume: 4982.8 ± 0.4 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: 0.1356
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No