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Information card for entry 8101235
Preview
| Coordinates | 8101235.cif |
|---|---|
| External links | PubChem |
| Formula | C75 H65 I4 N15 Nd2 O2 |
|---|---|
| Calculated formula | C75 H65 I4 N15 Nd2 O2 |
| SMILES | [Nd]1234([OH][Nd]567([OH]1)([n]1ccccc1c1[n]7cccc1)([n]1ccccc1c1[n]5cccc1)[n]1c(c4[n]6cccc4)cccc1)([n]1ccccc1c1[n]2cccc1)([n]1ccccc1c1[n]4cccc1)[n]1ccccc1c1[n]3cccc1.[I-].[I-].[I-].[I-].n1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | Crystal structure of bis[tris(2,2'-bipyridyl)-(μ-hydroxo)neodymium (III)] tetraiodide pyridine solvate, (C~60~H~50~O~2~N~12~Nd~2~)I~4~ · 3(NC~5~H~5~) |
| Authors of publication | Rivière, Christelle; Lance, Monique; Madic, Charles; Ephritikhine, Michel; Nierlich, Martine |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2000 |
| Journal volume | 215 |
| Journal issue | 2 |
| Pages of publication | 239 - 241 |
| a | 14.502 ± 0.003 Å |
| b | 34.015 ± 0.007 Å |
| c | 15.307 ± 0.003 Å |
| α | 90° |
| β | 100.6 ± 0.03° |
| γ | 90° |
| Cell volume | 7421.8 ± 2.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101235.cif |
| 211156 | 2018-09-25 | cif/8/10/12/ Marking attached hydrogen atoms in entry 8101235. |
8101235.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101235.cif |
| 102816 | 2014-02-23 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101235.cif |
| 100676 | 2014-02-06 | cif/8/ (antanas@lokys.ibt.lt) Adding volume number. |
8101235.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101235.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8101235.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
8101235.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8101235.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101235.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8101235.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8101235.cif |
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Users of the data should acknowledge the original authors of the
structural data.