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Information card for entry 4331889
Preview
| Coordinates | 4331889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H20 Fe N6 O9 |
|---|---|
| Calculated formula | C8 H18 Fe N6 O8 |
| Title of publication | Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate) |
| Authors of publication | Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 9 |
| Pages of publication | 3549 - 3556 |
| a | 16.2542 ± 0.0008 Å |
| b | 16.2542 ± 0.0008 Å |
| c | 11.535 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3047.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0991 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.199 |
| Weighted residual factors for all reflections included in the refinement | 0.2098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189196 (current) | 2016-12-18 | cif/4/33/ (antanas@kurmis) Marking attached hydrogen atoms in entries 4331888, 4331889, 4331890, 4331891, 4331892, 4331893. |
4331889.cif |
| 179421 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18. |
4331889.cif |
| 97950 | 2014-01-29 | cif/ Adding structures of 4331888, 4331889, 4331890, 4331891, 4331892, 4331893 via cif-deposit CGI script. |
4331889.cif |
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Users of the data should acknowledge the original authors of the
structural data.