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Information card for entry 4311435
Preview
| Coordinates | 4311435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H70 Fe5 N8 O27 |
|---|---|
| Calculated formula | C74 H68 Fe5 N8 O27 |
| Title of publication | Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes |
| Authors of publication | Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 5053 - 5068 |
| a | 15.3288 ± 0.0009 Å |
| b | 15.9751 ± 0.001 Å |
| c | 20.0357 ± 0.0013 Å |
| α | 104.081 ± 0.005° |
| β | 99.318 ± 0.005° |
| γ | 116.649 ± 0.004° |
| Cell volume | 4040.1 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1597 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4311435.cif |
| 179153 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/14. |
4311435.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311435.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311435.cif |
| 2934 | 2010-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4311435 via cif-deposit CGI script. |
4311435.cif |
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Users of the data should acknowledge the original authors of the
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