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Information card for entry 1518765
Preview
| Coordinates | 1518765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 F12 Fe Mn O10 |
|---|---|
| Calculated formula | C25 H23 F12 Fe Mn O10 |
| SMILES | [Fe]1234(OC(=CC(=[O]1)C)C)[O]=C(C=C([O]2[Mn]12([O]4C(=CC(=[O]3)C)C)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)C)C |
| Title of publication | Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors |
| Authors of publication | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2835 |
| a | 9.464 ± 0.0006 Å |
| b | 11.8255 ± 0.0008 Å |
| c | 16.508 ± 0.0011 Å |
| α | 102.022 ± 0.0018° |
| β | 97.859 ± 0.0018° |
| γ | 112.682 ± 0.0017° |
| Cell volume | 1618.3 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1518765.cif |
| 138494 | 2015-06-07 | cif/ Updating files of 1518761, 1518762, 1518763, 1518764, 1518765, 1518766 Original log message: Adding full bibliography for 1518761--1518766.cif. |
1518765.cif |
| 132457 | 2015-02-26 | cif/ Adding structures of 1518761, 1518762, 1518763, 1518764, 1518765, 1518766 via cif-deposit CGI script. |
1518765.cif |
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Users of the data should acknowledge the original authors of the
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