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Information card for entry 2228913
Preview
| Coordinates | 2228913.cif |
|---|---|
| Structure factors | 2228913.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,10-Phenanthrolin-1-ium nitrate‒ aquabis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')erbium(III)‒\1,10-phenanthroline‒water (1/1/0.5/2) |
|---|---|
| Formula | C44 H37 Er N7 O15 |
| Calculated formula | C44 H37 Er N7 O15 |
| Title of publication | 1,10-Phenanthrolin-1-ium nitrate‒aquabis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)‒1,10-phenanthroline‒water (1/1/0.5/2) |
| Authors of publication | Shen, Fwu Ming; Lush, Shie Fu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m86 - m87 |
| a | 10.9464 ± 0.0002 Å |
| b | 11.3682 ± 0.0003 Å |
| c | 19.2638 ± 0.0005 Å |
| α | 77.108 ± 0.002° |
| β | 84.79 ± 0.002° |
| γ | 67.25 ± 0.002° |
| Cell volume | 2154.95 ± 0.1 Å3 |
| Cell temperature | 97 K |
| Ambient diffraction temperature | 97 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (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 2/22/89. |
2228913.cif 2228913.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. |
2228913.cif 2228913.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228913.cif 2228913.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. | 2228913.cif 2228913.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228913.cif 2228913.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228913.cif 2228913.hkl |
| 10169 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228913 via cif-deposit CGI script. |
2228913.cif |
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Users of the data should acknowledge the original authors of the
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