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Information card for entry 5000429
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| Coordinates | 5000429.cif |
|---|
| Formula | C60 H126 O21 Zr4 |
|---|---|
| Calculated formula | C60 H124 O21 Zr4 |
| Authors of publication | Huffman, John C. |
| Journal of publication | Reciprocal Net (Indiana University Molecular Structure Center) |
| a | 16.467 ± 0.005 Å |
| b | 19.97 ± 0.006 Å |
| c | 23.732 ± 0.006 Å |
| α | 90° |
| β | 106.073 ± 0.014° |
| γ | 90° |
| Cell volume | 7499 ± 4 Å3 |
| Cell temperature | 95 K |
| Ambient diffraction temperature | 95 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0976 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
5000429.cif |
| 175848 | 2016-02-04 | cif/5/00/ (antanas@echidna.ibt.lt) Adding additional information from the original CIF for entry 5000429. |
5000429.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000429.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. |
5000429.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. |
5000429.cif |
| 181 | 2008-02-29 | 22 files corrected. |
5000429.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/' |
5000429.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000429.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. |
5000429.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) |
5000429.cif |
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Users of the data should acknowledge the original authors of the
structural data.