Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7009359
Preview
| Coordinates | 7009359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-diaqua-μ(O,O',O'',O'''chloranilato)iron(II) hydrate |
|---|---|
| Formula | C24 H24 Cl8 Fe4 O28 |
| Calculated formula | C6 H6 Cl2 Fe O7 |
| Title of publication | X-Ray diffraction and magnetic studies on a series of isostructural divalent metal chloranilates with zigzag polymeric chain structures and on a dinuclear iron(III) chloranilate † |
| Authors of publication | Abrahams, Brendan F.; Lu, Kevin D.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 11 |
| Pages of publication | 1793 |
| a | 4.9199 ± 0.0002 Å |
| b | 14.255 ± 0.001 Å |
| c | 14.011 ± 0.003 Å |
| α | 90° |
| β | 94.98 ± 0.007° |
| γ | 90° |
| Cell volume | 978.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194601 (current) | 2017-03-30 | cif/7/00/93/ (antanas@kurmis) Replacing the \M" substring with the "\m" substring in the _chemical_name_systematic data item value in entries 7009359, 7009360. |
7009359.cif |
| 179797 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/93. |
7009359.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009359.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009359.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009359.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.