Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518762
Preview
| Coordinates | 1518762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H25 F24 Fe3 O14 |
|---|---|
| Calculated formula | C35 H25 F24 Fe3 O14 |
| SMILES | [Fe]1234([O]5[Fe]67(OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O7)C(F)(F)F)C(F)(F)F)[O]3C(=CC(=[O]4[Fe]34([O]1C(=CC=5C)C)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)C)C)[O]=C(C=C(O2)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 | 9.7834 ± 0.0007 Å |
| b | 20.8414 ± 0.0016 Å |
| c | 12.0955 ± 0.0009 Å |
| α | 90° |
| β | 102.57 ± 0.0019° |
| γ | 90° |
| Cell volume | 2407.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518762.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. |
1518762.cif |
| 132457 | 2015-02-26 | cif/ Adding structures of 1518761, 1518762, 1518763, 1518764, 1518765, 1518766 via cif-deposit CGI script. |
1518762.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.