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Information card for entry 2234678
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| Coordinates | 2234678.cif |
|---|---|
| Structure factors | 2234678.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine- 2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate] |
|---|---|
| Formula | C42 H63 Ca3 Eu2 N6 O46.5 |
| Calculated formula | C42 H54 Ca3 Eu2 N6 O46.5 |
| Title of publication | Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine-2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate] |
| Authors of publication | Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m685 - m686 |
| a | 16.07 ± 0.004 Å |
| b | 9.471 ± 0.002 Å |
| c | 23.54 ± 0.006 Å |
| α | 90° |
| β | 107.685 ± 0.004° |
| γ | 90° |
| Cell volume | 3413.4 ± 1.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181268 (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 2/23/46. |
2234678.cif 2234678.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2234678.cif 2234678.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234678.cif 2234678.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. | 2234678.cif 2234678.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234678.cif 2234678.hkl |
| 60158 | 2012-06-14 | cif/ Adding structures of 2234678 via cif-deposit CGI script. |
2234678.cif |
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Users of the data should acknowledge the original authors of the
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