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Information card for entry 7015714
Preview
| Coordinates | 7015714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H48 Fe N2 O2 |
|---|---|
| Calculated formula | C34 H48 Fe N2 O2 |
| SMILES | CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Fe]2(O1)[N](=C(C=C(C)O2)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). |
| Authors of publication | Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 22 |
| Pages of publication | 5881 - 5890 |
| a | 23.7223 ± 0.0002 Å |
| b | 12.069 ± 0.0001 Å |
| c | 11.7799 ± 0.0001 Å |
| α | 90° |
| β | 107.93° |
| γ | 90° |
| Cell volume | 3208.84 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179861 (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 7/01/57. |
7015714.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015714.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015714.cif |
| 21327 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015711, 7015712, 7015713, 7015714, 7015715 via cif-deposit CGI script. |
7015714.cif |
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Users of the data should acknowledge the original authors of the
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