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Information card for entry 5000330
Preview
| Coordinates | 5000330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H35.5 Cl2 Fe2 N6.5 O5 |
|---|---|
| Calculated formula | C41.5 H34 Cl2 Fe2 N6 O5 |
| Title of publication | Dinuclear and hexanuclear iron(III) carboxylate clusters with a bis(bipyridine) ligand: supramolecular aggregation of [Fe2O2] units to give a [Fe6O6] ladder structure † |
| Authors of publication | Seddon, Elisa J.; Yoo, Jae; Folting, Kirsten; Huffman, John C.; Hendrickson, David N.; Christou, George |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 20 |
| Pages of publication | 3640 |
| a | 11.459 ± 0.006 Å |
| b | 16.457 ± 0.008 Å |
| c | 11.376 ± 0.006 Å |
| α | 92.36 ± 0.03° |
| β | 105.11 ± 0.03° |
| γ | 74.4 ± 0.03° |
| Cell volume | 1993.9 ± 1.8 Å3 |
| Cell temperature | 108 K |
| Ambient diffraction temperature | 108 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 | 0.0448 |
| Weighted residual factors for all reflections included in the refinement | 0.0457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0395 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295836 (current) | 2024-11-08 | Corrected misspelt versions of the _atom_sites_solution_hydrogens data name in entries 1571002, 1572359, 5000330, 5000343, 5000348, 7011845. |
5000330.cif |
| 176451 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 5. |
5000330.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 5000330.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000330.cif |
| 3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
5000330.cif |
| 1111 | 2010-04-19 | Fixed tag "_atom_sites_solution_hydroden" to "_atom_sites_solution_hydrodens" |
5000330.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. |
5000330.cif |
| 181 | 2008-02-29 | 22 files corrected. |
5000330.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/' |
5000330.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000330.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. |
5000330.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) |
5000330.cif |
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Users of the data should acknowledge the original authors of the
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