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Information card for entry 2233238
Preview
| Coordinates | 2233238.cif |
|---|---|
| Structure factors | 2233238.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zincate(II) 2.35-hydrate |
|---|---|
| Formula | C28 H24.7 N4 O12.35 Zn |
| Calculated formula | C28 H24.7 N4 O12.35 Zn |
| Title of publication | 2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zincate(II) 2.35-hydrate: a proton-transfer compound |
| Authors of publication | Derikvand, Zohreh; Stoeckli-Evans, Helen; Nemati, Andya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m31 - m32 |
| a | 11.0687 ± 0.0018 Å |
| b | 9.7888 ± 0.0014 Å |
| c | 25.776 ± 0.004 Å |
| α | 90° |
| β | 94.16 ± 0.019° |
| γ | 90° |
| Cell volume | 2785.5 ± 0.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.08 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (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 2/23/32. |
2233238.cif 2233238.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2233238.cif 2233238.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233238.cif 2233238.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233238.cif 2233238.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233238.cif 2233238.hkl |
| 32299 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233238 via cif-deposit CGI script. |
2233238.cif |
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Users of the data should acknowledge the original authors of the
structural data.