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Information card for entry 7052601
Preview
| Coordinates | 7052601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H58 Cl6 Fe6 N2 O26 |
|---|---|
| Calculated formula | C32 H56 Cl6 Fe6 N2 O26 |
| SMILES | C1(C)=[O][Fe]2345OC(C)=[O][Fe]67([O]8[Fe]9%10%11([O]=C(O[Fe]%128([N](C[C@H]([O]%11%12)C)(C)C)([O]=C(C)O7)OC(C)=[O]6)C)O[Fe]67([O]2[Fe]2([N](C[C@H](C)[O]52)(C)C)([O]=C(C)O4)(OC(C)=[O]7)[O]=C(C)O6)([O]=C(C)O9)OC(C)=[O]%10)(O1)O3.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species |
| Authors of publication | Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 842 |
| a | 9.6137 ± 0.0006 Å |
| b | 12.1476 ± 0.0007 Å |
| c | 12.7323 ± 0.0008 Å |
| α | 82.799 ± 0.005° |
| β | 80.978 ± 0.005° |
| γ | 78.045 ± 0.005° |
| Cell volume | 1430.02 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180080 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052601.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052601.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052601.cif |
| 21237 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7052600, 7052601, 7052602, 7052603 via cif-deposit CGI script. |
7052601.cif |
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Users of the data should acknowledge the original authors of the
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