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Information card for entry 7201586
Preview
| Coordinates | 7201586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H126 Fe2 O39 S96 |
|---|---|
| Calculated formula | C132 H96 Fe2 O39 S96 |
| Title of publication | Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions |
| Authors of publication | Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 2 |
| Pages of publication | 192 |
| a | 36.017 ± 0.01 Å |
| b | 30.88 ± 0.01 Å |
| c | 36.183 ± 0.015 Å |
| α | 90° |
| β | 93.66 ± 0.03° |
| γ | 90° |
| Cell volume | 40161 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1574 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.1898 |
| Weighted residual factors for all reflections included in the refinement | 0.2283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180346 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/15. |
7201586.cif |
| 171494 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic and _chemical_name_common tag values in multiple entries. |
7201586.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201586.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201586.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201586.cif |
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Users of the data should acknowledge the original authors of the
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