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Information card for entry 2239250
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| Coordinates | 2239250.cif |
|---|---|
| Structure factors | 2239250.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(pyridin-2-yl)methylideneamino]benzoato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chromium(III) nitrate monohydrate |
|---|---|
| Formula | C26 H20 Cr N5 O8 |
| Calculated formula | C26 H18 Cr N5 O8 |
| Title of publication | Bis{2-[(pyridin-2-yl)methylideneamino]benzoato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chromium(III) nitrate monohydrate |
| Authors of publication | Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | m136 |
| a | 7.9131 ± 0.0011 Å |
| b | 11.4929 ± 0.0015 Å |
| c | 13.5627 ± 0.0018 Å |
| α | 86.105 ± 0.011° |
| β | 79.29 ± 0.011° |
| γ | 85.566 ± 0.011° |
| Cell volume | 1206.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0976 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239250.cif 2239250.hkl |
| 181311 | 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 2/23/92. |
2239250.cif 2239250.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. |
2239250.cif 2239250.hkl |
| 108822 | 2014-04-03 | cif/ hkl/ Adding structures of 2239250 via cif-deposit CGI script. |
2239250.cif 2239250.hkl |
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