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Information card for entry 2234866
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| Coordinates | 2234866.cif |
|---|---|
| Structure factors | 2234866.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua[3-(3-hydroxyphenyl)prop-2-enoato]samarium(III)]- bis[μ~2~-3-(3-hydroxyphenyl)prop-2-enoato]] monohydrate] |
|---|---|
| Formula | C27 H25 O11 Sm |
| Calculated formula | C27 H25 O11 Sm |
| SMILES | [Sm]123([O]=C(O1)/C=C/c1cccc(O)c1)([OH2])[O]=C(/C=C/c1cccc(O)c1)[O]3[Sm]134([O]=C(O1)/C=C/c1cccc(O)c1)(OC(/C=C/c1cccc(O)c1)=O)([OH2])([O]=C(/C=C/c1cccc(O)c1)O4)[O]=C(/C=C/c1cccc(O)c1)[O]32.O.O |
| Title of publication | <i>catena</i>-Poly[[[aqua[3-(3-hydroxyphenyl)prop-2-enoato]samarium(III)]-bis[μ~2~-3-(3-hydroxyphenyl)prop-2-enoato]] monohydrate] |
| Authors of publication | Guo, Jing-ke; Wen, Yi-Hang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m543 - m544 |
| a | 7.9411 ± 0.0001 Å |
| b | 13.0312 ± 0.0002 Å |
| c | 13.6564 ± 0.0002 Å |
| α | 97.356 ± 0.001° |
| β | 97.12 ± 0.001° |
| γ | 103.739 ± 0.001° |
| Cell volume | 1343.87 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for significantly intense reflections | 0.0365 |
| Weighted residual factors for all reflections included in the refinement | 0.0369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181270 (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 2/23/48. |
2234866.cif 2234866.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. |
2234866.cif 2234866.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234866.cif 2234866.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. | 2234866.cif 2234866.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234866.cif 2234866.hkl |
| 60372 | 2012-06-14 | cif/ Adding structures of 2234866 via cif-deposit CGI script. |
2234866.cif |
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Users of the data should acknowledge the original authors of the
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