Information card for entry 2222212

Structure parameters

• Common name: Diaquabis(norfloxacinato)manganese(II) 2,2'-bipyridine solvate tetrahydrate
• Chemical name: Diaquabis[1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline- 3-carboxylato]manganese(II) 2,2'-bipyridine solvate tetrahydrate
• Formula: C42 H54 F2 Mn N8 O12
• Calculated formula: C42 H54 F2 Mn N8 O12
• SMILES: n1c(cccc1)c1ncccc1.[Mn]12([O]=c3c(cn(c4c3cc(c(c4)N3CCNCC3)F)CC)C(=O)O1)([O]=c1c(cn(c3c1cc(c(c3)N1CCNCC1)F)CC)C(=O)O2)([OH2])[OH2].O.O.O.O
• Title of publication: Diaquabis(norfloxacinato)manganese(II) 2,2'-bipyridine solvate tetrahydrate
• Authors of publication: Wang, Yan-Jun; Lin, Qiu-Yue; Feng, Jie; Wang, Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m806
• a: 9.5179 ± 0.0004 Å
• b: 11.4645 ± 0.0002 Å
• c: 11.6617 ± 0.0002 Å
• α: 118.844 ± 0.001°
• β: 93.398 ± 0.002°
• γ: 97.258 ± 0.002°
• Cell volume: 1095.06 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes