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Information card for entry 2238394
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| Coordinates | 2238394.cif |
|---|---|
| Structure factors | 2238394.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc dimethylformamide hemisolvate |
|---|---|
| Formula | C13.5 H15.5 N2.5 O6.5 Zn |
| Calculated formula | C13.5 H15.5 N2.5 O6.5 Zn |
| Title of publication | Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc dimethylformamide hemisolvate |
| Authors of publication | Croitor, Lilia; Chisca, Diana; Coropceanu, Eduard B.; Fonari, Marina S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m454 |
| a | 25.777 ± 0.003 Å |
| b | 8.6754 ± 0.0004 Å |
| c | 16.7916 ± 0.0017 Å |
| α | 90° |
| β | 125.228 ± 0.015° |
| γ | 90° |
| Cell volume | 3067.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.114 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238394.cif 2238394.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238394.cif 2238394.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238394.cif 2238394.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238394.cif 2238394.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238394.cif 2238394.hkl |
| 88239 | 2013-09-04 | cif/ Adding structures of 2238394 via cif-deposit CGI script. |
2238394.cif |
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