Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341890
Preview
| Coordinates | 4341890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H92 B2 Br2 F48 Fe2 N10 O3 |
|---|---|
| Calculated formula | C122 H70 B2 Br2 F48 Fe2 N10 O3 |
| Title of publication | Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes. |
| Authors of publication | Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 359 - 369 |
| a | 12.4619 ± 0.0005 Å |
| b | 17.1585 ± 0.0008 Å |
| c | 17.9518 ± 0.0008 Å |
| α | 84.82 ± 0.002° |
| β | 76.042 ± 0.002° |
| γ | 77.842 ± 0.002° |
| Cell volume | 3638.5 ± 0.3 Å3 |
| Cell temperature | 225 ± 2 K |
| Ambient diffraction temperature | 224.98 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.2021 |
| Weighted residual factors for all reflections included in the refinement | 0.2079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179521 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341890.cif |
| 130621 | 2015-02-04 | cif/ Updating files of 4341887, 4341888, 4341889, 4341890, 4341891, 4341892, 4341893, 4341894 Original log message: Adding full bibliography for 4341887--4341894.cif. |
4341890.cif |
| 128609 | 2014-12-13 | cif/ Adding structures of 4341887, 4341888, 4341889, 4341890, 4341891, 4341892, 4341893, 4341894 via cif-deposit CGI script. |
4341890.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.