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Information card for entry 2239675
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| Coordinates | 2239675.cif |
|---|---|
| Structure factors | 2239675.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquatris(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III) |
|---|---|
| Formula | C15 H25 La O8 |
| Calculated formula | C15 H25 La O8 |
| SMILES | [La]123([OH2])([O]=C(C=C(O3)C)C)([O]=C(C)C=C(O2)C)([O]=C(C=C(O1)C)C)[OH2] |
| Title of publication | Redetermination of diaquatris(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III) |
| Authors of publication | Okawara, Toru; Ishihama, Kohei; Takehara, Kenji |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m258 - m259 |
| a | 8.9245 ± 0.0012 Å |
| b | 10.6597 ± 0.0015 Å |
| c | 11.3727 ± 0.0015 Å |
| α | 96.614 ± 0.002° |
| β | 100.601 ± 0.002° |
| γ | 114.325 ± 0.002° |
| Cell volume | 946.8 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239675.cif 2239675.hkl |
| 181315 | 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 2/23/96. |
2239675.cif 2239675.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. |
2239675.cif 2239675.hkl |
| 118112 | 2014-06-26 | cif/ hkl/ Adding structures of 2239675 via cif-deposit CGI script. |
2239675.cif 2239675.hkl |
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Users of the data should acknowledge the original authors of the
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