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Information card for entry 8103095
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| Coordinates | 8103095.cif |
|---|
| Formula | C16 H24 N3 O15 Sm |
|---|---|
| Calculated formula | C16 H24 N3 O15 Sm |
| SMILES | [Sm]1234(OC(=O)c5[n]4c(cc(O)c5)C(=O)O1)(OC(=O)c1[n]3c(cc(O)c1)C(=O)O2)([OH2])([OH2])[OH2].O.O.[NH2+](C)C |
| Title of publication | Crystal structure of dimethylammonium triaquabis(4-hydroxypyridine-2,6-dicarboxylato)samarium(III) dihydrate, [C2H8N][Sm(H2O)3(C7H3NO5)2] · 2H2O |
| Authors of publication | Xun Feng; Jing Liu; Tie-Fu Li; Peng-Peng Lei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 80 |
| a | 10.276 ± 0.002 Å |
| b | 10.403 ± 0.002 Å |
| c | 11.951 ± 0.002 Å |
| α | 92.358 ± 0.002° |
| β | 91.168 ± 0.002° |
| γ | 117.31 ± 0.002° |
| Cell volume | 1133.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103095.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103095.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103095.cif |
| 29018 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103095 via cif-deposit CGI script. |
8103095.cif |
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Users of the data should acknowledge the original authors of the
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