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Information card for entry 2237163
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| Coordinates | 2237163.cif |
|---|---|
| Structure factors | 2237163.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,6-Bis(5-ethoxy-1,3-oxazol-2-yl)-4-methoxyphenyl- κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']bromidopalladium(II) |
|---|---|
| Formula | C17 H17 Br N2 O5 Pd |
| Calculated formula | C17 H17 Br N2 O5 Pd |
| SMILES | [Pd]12([n]3c(oc(OCC)c3)c3cc(OC)cc(c4oc(OCC)c[n]14)c23)Br |
| Title of publication | [2,6-Bis(5-ethoxy-1,3-oxazol-2-yl)-4-methoxyphenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']bromidopalladium(II) |
| Authors of publication | Nan, Wen-Hui; Tan, Jian-Ping; Luo, Qun-Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m31 - m32 |
| a | 9.0209 ± 0.0003 Å |
| b | 9.6544 ± 0.0003 Å |
| c | 10.92 ± 0.0003 Å |
| α | 87.093 ± 0.002° |
| β | 86.974 ± 0.001° |
| γ | 85.793 ± 0.002° |
| Cell volume | 946.1 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (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 2/23/71. |
2237163.cif 2237163.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. |
2237163.cif 2237163.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237163.cif 2237163.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. | 2237163.cif 2237163.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237163.cif 2237163.hkl |
| 73384 | 2013-02-20 | cif/ Adding structures of 2237163 via cif-deposit CGI script. |
2237163.cif |
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Users of the data should acknowledge the original authors of the
structural data.