Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228231
Preview
| Coordinates | 2228231.cif |
|---|---|
| Structure factors | 2228231.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato- κ^2^<i>O</i>,<i>O</i>']cerium(III)}-bis[μ-2-(4-hydroxyphenyl)acetato]- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] 4,4'-bipyridine disolvate monohydrate] |
|---|---|
| Formula | C44 H43 Ce N4 O12 |
| Calculated formula | C44 H43 Ce N4 O12 |
| SMILES | [Ce]1234([O]=C(O1)Cc1ccc(O)cc1)([OH2])([OH2])([O]=C(O2)Cc1ccc(O)cc1)(OC(=O)Cc1ccc(O)cc1)[O]=C([O]3[Ce]12([O]=C(O1)Cc1ccc(O)cc1)([OH2])([OH2])[O]=C([O]42)Cc1ccc(O)cc1)Cc1ccc(O)cc1.O.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.O.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1 |
| Title of publication | <i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']cerium(III)}-bis[μ-2-(4-hydroxyphenyl)acetato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] 4,4'-bipyridine disolvate monohydrate] |
| Authors of publication | Liu, Jia-Lu; Liu, Jian-Feng; Zhao, Guo-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1678 |
| a | 9.0793 ± 0.0002 Å |
| b | 12.8371 ± 0.0003 Å |
| c | 19.5796 ± 0.0004 Å |
| α | 78.534 ± 0.001° |
| β | 76.716 ± 0.001° |
| γ | 73.121 ± 0.001° |
| Cell volume | 2103.82 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.865 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228231.cif 2228231.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228231.cif 2228231.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228231.cif 2228231.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. | 2228231.cif 2228231.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228231.cif 2228231.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228231.cif 2228231.hkl |
| 5765 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228222, 2228223, 2228224, 2228225, 2228226, 2228227, 2228228, 2228229, 2228230, 2228231 via cif-deposit CGI script. |
2228231.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.