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Information card for entry 7017417
Preview
| Coordinates | 7017417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H30 Fe2 N6 O6 Zn3 |
|---|---|
| Calculated formula | C36 H30 Fe2 N6 O6 Zn3 |
| SMILES | [Fe]12345[Zn]67([Fe]89([Zn]16([n]1ccccc1)([n]1ccccc1)(C3=O)C8=O)([Zn]2([n]1ccccc1)([n]1ccccc1)(C4=O)C9=O)C7=O)([n]1ccccc1)([n]1ccccc1)C5=O |
| Title of publication | Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores. |
| Authors of publication | Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 46 |
| Pages of publication | 12570 - 12577 |
| a | 20.0442 ± 0.0008 Å |
| b | 10.0158 ± 0.0004 Å |
| c | 18.6317 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3740.5 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179878 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/74. |
7017417.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017417.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017417.cif |
| 31337 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7017415, 7017416, 7017417, 7017418, 7017419 via cif-deposit CGI script. |
7017417.cif |
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