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Information card for entry 8101479
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| Coordinates | 8101479.cif |
|---|
| Formula | C32 H70 N6 Na Nb O2 |
|---|---|
| Calculated formula | C32 H70 N6 Na Nb O2 |
| SMILES | C1N(C(C)C)[Nb]23(N(C(C)C)CCN3C(C)C)(N(C(C)C)CC[N]32C(C)C)[N](C(C)C)(C1)[Na]3([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Crystal structure of N,N'-diisopropylethylenediamido-μ(1kN',2kN)-bis(N,N'- diisopropylethenediamido-1kN,2kN')niobium(V)-bis(tetrahydrofuran)sodium(I), [Nb(iPr2en)3{Na(thf)2}] |
| Authors of publication | Armstrong, William H.; Bonitatebus, Peter J. Jr. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 2 |
| Pages of publication | 243 - 244 |
| a | 16.38 ± 0.003 Å |
| b | 13.003 ± 0.004 Å |
| c | 18.23 ± 0.004 Å |
| α | 90° |
| β | 104.23 ± 0.015° |
| γ | 90° |
| Cell volume | 3763.7 ± 1.4 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 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. |
8101479.cif |
| 102501 | 2014-02-21 | cif/8/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101479.cif |
| 100411 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101479.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101479.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
8101479.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. |
8101479.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. |
8101479.cif |
| 67 | 2008-01-31 | 19 files corrected. |
8101479.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/' |
8101479.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101479.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. |
8101479.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) |
8101479.cif |
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Users of the data should acknowledge the original authors of the
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