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Information card for entry 8102102
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| Coordinates | 8102102.cif |
|---|
| Chemical name | poly(bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7- (1-piperazinyl)-1,8-naphtyridine-3-carboxylato)zinc(II)) |
|---|---|
| Formula | C30 H32 F2 N8 O8 Zn |
| Calculated formula | C30 H32 F2 N8 O8 Zn |
| Title of publication | Crystal structure of poly(bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7- (1-piperazinyl)-1,8-naphtyridine-3-carboxylato)-zinc(II)) dihydrate, Zn(C~15~H~16~FN~4~O~3~)~2~ · 2H~2~O |
| Authors of publication | An, Z.; Cui, R.-H.; Wang, R.-S. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 135 - 136 |
| a | 5.939 ± 0.005 Å |
| b | 21.462 ± 0.005 Å |
| c | 13.195 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 100.379 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1654.4 ± 1.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102102.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102102.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102102.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102102.cif |
| 12841 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102102 via cif-deposit CGI script. |
8102102.cif |
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