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Information card for entry 5000345
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| Coordinates | 5000345.cif |
|---|
| Formula | C92 H82 Cl42 Fe6 N8 O27 |
|---|---|
| Calculated formula | C93.3205 H66 Cl41.9999 Fe6 N8 O29.7604 |
| a | 14.217 ± 0.003 Å |
| b | 18.397 ± 0.004 Å |
| c | 14.17 ± 0.003 Å |
| α | 111.963 ± 0.011° |
| β | 98.869 ± 0.012° |
| γ | 82.316 ± 0.012° |
| Cell volume | 3384.5 ± 1.3 Å3 |
| Cell temperature | 106 K |
| Ambient diffraction temperature | 106 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.0964 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000345.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000345.cif |
| 1059 | 2010-03-30 | Finished fixing uniq tags with mistakes from unrecognised-tag.lst |
5000345.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. |
5000345.cif |
| 181 | 2008-02-29 | 22 files corrected. |
5000345.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/' |
5000345.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000345.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. |
5000345.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) |
5000345.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.