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Information card for entry 2231737
Preview
| Coordinates | 2231737.cif |
|---|---|
| Structure factors | 2231737.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(3-aminopyrazine-2- carboxylato)triaquapraseodymium(III)]-μ-3-aminopyrazine-2-carboxylato- [(3-aminopyrazine-2-carboxylato)diaquaformatopraseodymium(III)]- μ-3-aminopyrazine-2-carboxylato] hexahydrate] |
|---|---|
| Formula | C26 H43 N15 O23 Pr2 |
| Calculated formula | C26 H43 N15 O23 Pr2 |
| Title of publication | <i>catena</i>-Poly[[[bis(3-aminopyrazine-2-carboxylato)triaquapraseodymium(III)]-μ-3-aminopyrazine-2-carboxylato-[(3-aminopyrazine-2-carboxylato)diaquaformatopraseodymium(III)]-μ-3-aminopyrazine-2-carboxylato] hexahydrate] |
| Authors of publication | Gao, Shan; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1221 - m1222 |
| a | 9.7213 ± 0.0003 Å |
| b | 14.2113 ± 0.0006 Å |
| c | 17.6228 ± 0.0006 Å |
| α | 68.801 ± 0.001° |
| β | 76.291 ± 0.001° |
| γ | 79.349 ± 0.001° |
| Cell volume | 2191.97 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181239 (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 2/23/17. |
2231737.cif 2231737.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. |
2231737.cif 2231737.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231737.cif 2231737.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. | 2231737.cif 2231737.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231737.cif 2231737.hkl |
| 27876 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231737 via cif-deposit CGI script. |
2231737.cif |
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Users of the data should acknowledge the original authors of the
structural data.