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Information card for entry 7219244
Preview
| Coordinates | 7219244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(sparfloxacinato-O,O')-(1,10-phenanthroline-N,N')-manganese(II)‒methanol(1/4) |
|---|---|
| Chemical name | bis(5-amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylato-O,O')-(1,10-phenanthroline-N,N')-manganese(II)‒methanol(1/4) |
| Formula | C54 H66 F4 Mn N10 O10 |
| Calculated formula | C54 H66 F4 Mn N10 O10 |
| SMILES | C1(=O)C2=CN(c3c(C2=[O][Mn]24([n]5cccc6c5c5[n]2cccc5cc6)(O1)OC(=O)C1=CN(c2c(C1=[O]4)c(c(c(c2F)N1C[C@@H](N[C@@H](C1)C)C)F)N)C1CC1)c(c(c(c3F)N1C[C@@H](N[C@@H](C1)C)C)F)N)C1CC1.OC.OC.OC.OC |
| Title of publication | Structure, antimicrobial activity, albumin‒ and DNA‒binding of manganese(II)‒sparfloxacinato complexes |
| Authors of publication | Zampakou, Marianthi; Balala, Sofia; Perdih, Franc; Kalogiannis, Stavros; Turel, Iztok; Psomas, George L. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 14.9469 ± 0.0005 Å |
| b | 16.0111 ± 0.0005 Å |
| c | 23.5378 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5633 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1068 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180523 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92. |
7219244.cif |
| 129488 | 2015-01-09 | cif/ Adding structures of 7219244 via cif-deposit CGI script. |
7219244.cif |
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Users of the data should acknowledge the original authors of the
structural data.