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Information card for entry 2018416
Preview
| Coordinates | 2018416.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato- κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate] |
|---|---|
| Formula | C17 H26 La N5 O9 |
| Calculated formula | C17 H26 La N5 O9 |
| Title of publication | Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate] |
| Authors of publication | Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m53 - m56 |
| a | 8.9484 ± 0.0011 Å |
| b | 11.4743 ± 0.0014 Å |
| c | 12.3985 ± 0.0015 Å |
| α | 68.978 ± 0.002° |
| β | 84.418 ± 0.002° |
| γ | 78.501 ± 0.002° |
| Cell volume | 1164 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0215 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018416.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018416.cif |
| 51171 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018416 via cif-deposit CGI script. |
2018416.cif |
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