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Information card for entry 2222201
Preview
Coordinates | 2222201.cif |
---|---|
Structure factors | 2222201.hkl |
Original IUCr paper | HTML |
Common name | Diaquabis(ciprofloxacinato)manganese(II) 2,2'-bipyridine solvate dihydrate |
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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)c2cn(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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2222201.html
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