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Information card for entry 2232101
Preview
| Coordinates | 2232101.cif |
|---|---|
| Structure factors | 2232101.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis(2,2'-bipyridine)bis(μ~3~-5-hydroxyisophthalato)(μ~2~- 5-hydroxyisophthalato)digadolinium(III)] trihydrate] |
|---|---|
| Formula | C44 H38 Gd2 N4 O20 |
| Calculated formula | C44 H38 Gd2 N4 O20 |
| Title of publication | Poly[[diaquabis(2,2'-bipyridine)bis(μ~3~-5-hydroxyisophthalato)(μ~2~-5-hydroxyisophthalato)digadolinium(III)] trihydrate] |
| Authors of publication | Zhang, Yan-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1368 - m1369 |
| a | 11.4196 ± 0.0013 Å |
| b | 12.0357 ± 0.0014 Å |
| c | 17.886 ± 0.002 Å |
| α | 91.008 ± 0.001° |
| β | 103.204 ± 0.001° |
| γ | 106.648 ± 0.001° |
| Cell volume | 2283.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (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 2/23/21. |
2232101.cif 2232101.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. |
2232101.cif 2232101.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232101.cif 2232101.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. | 2232101.cif 2232101.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232101.cif 2232101.hkl |
| 29395 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232101 via cif-deposit CGI script. |
2232101.cif |
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Users of the data should acknowledge the original authors of the
structural data.