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Information card for entry 4317147
Preview
| Coordinates | 4317147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (p-cymene)-chlorido-(ofloxacinato)-ruthenium 2.8 hydrate |
|---|---|
| Chemical name | (p-cymene)-chlorido-((RS)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo -4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylato) -ruthenium 2.8 hydrate |
| Formula | C28 H38.6 Cl F N3 O6.8 Ru |
| Calculated formula | C28 H35 Cl F N3 O6.8 Ru |
| Title of publication | First Ruthenium Organometallic Complex of Antibacterial Agent Ofloxacin. Crystal Structure and Interactions with DNA |
| Authors of publication | Iztok Turel; Jakob Kljun; Franc Perdih; Elena Morozova; Vladimir Bakulev; Nina Kasyanenko; Jo Ann W. Byl; Neil Osheroff |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10750 - 10752 |
| a | 24.6662 ± 0.0003 Å |
| b | 20.8233 ± 0.0003 Å |
| c | 11.9268 ± 0.0002 Å |
| α | 90° |
| β | 95.1326 ± 0.0007° |
| γ | 90° |
| Cell volume | 6101.42 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4317147.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317147.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317147.cif |
| 10659 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317147 via cif-deposit CGI script. |
4317147.cif |
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