Information card for entry 2222201

Structure parameters

• Common name: Diaquabis(ciprofloxacinato)manganese(II) 2,2'-bipyridine solvate dihydrate
• Chemical name: diaquabis[1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4- dihydroquinoline-3-carboxylato]manganese(II) 2,2'-bipyridine solvate tetrahydrate}
• Formula: C44 H54 F2 Mn N8 O12
• Calculated formula: C44 H54 F2 Mn N8 O12
• SMILES: n1ccccc1c1ncccc1.[O]1[Mn]2([O]=C3C(C(=O)O2)=CN(C2CC2)c2cc(N4CCNCC4)c(F)cc32)(OC(=O)C2=CN(C3CC3)c3c(cc(c(c3)N3CCNCC3)F)C=12)([OH2])[OH2].O.O.O.O
• Title of publication: Diaquabis(ciprofloxacinato)manganese(II) 2,2'-bipyridine solvate tetrahydrate
• Authors of publication: Wang, Yan-Jun; Wang, Na; Hu, Rui-Ding; Lin, Qiu-Yue; Wang, Yun-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m783
• a: 10.0355 ± 0.0003 Å
• b: 11.1409 ± 0.0003 Å
• c: 11.8461 ± 0.0003 Å
• α: 66.905 ± 0.002°
• β: 68.933 ± 0.002°
• γ: 85.858 ± 0.002°
• Cell volume: 1133.22 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.121
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2533
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes