Information card for entry 7715382

Structure parameters

• Formula: C68 H77 F4 Gd N16 O34
• Calculated formula: C68 H77 F4 Gd N16 O34
• SMILES: [Gd]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]([CH3])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.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• 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: 15.0847 ± 0.001 Å
• b: 17.9471 ± 0.0013 Å
• c: 21.4137 ± 0.0013 Å
• α: 95.903 ± 0.005°
• β: 107.495 ± 0.006°
• γ: 113.144 ± 0.007°
• Cell volume: 4920 ± 0.7 ų
• Cell temperature: 119.9 ± 0.6 K
• Ambient diffraction temperature: 119.9 ± 0.6 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: 0.2703
• Residual factor for significantly intense reflections: 0.1893
• Weighted residual factors for significantly intense reflections: 0.4465
• Weighted residual factors for all reflections included in the refinement: 0.523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.636
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No