Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037894
Preview
| Coordinates | 7037894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H60 Cl2 Fe2 N4 O5 |
|---|---|
| Calculated formula | C45 H60 Cl2 Fe2 N4 O5 |
| SMILES | C1[N]2(CC[N]34Cc5c(c(cc(c5)C)C)O[Fe]24(Oc2c(C3)cc(cc2C)C)O[Fe]234[N](C1)(CC[N]2(Cc1c(c(cc(c1)C)C)O3)Cc1c(O4)c(cc(c1)C)C)C)C.ClCCl |
| Title of publication | Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes. |
| Authors of publication | Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 8 |
| Pages of publication | 3340 - 3361 |
| a | 17.5005 ± 0.0009 Å |
| b | 11.7785 ± 0.0006 Å |
| c | 21.6508 ± 0.0011 Å |
| α | 90° |
| β | 97.697 ± 0.001° |
| γ | 90° |
| Cell volume | 4422.7 ± 0.4 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0863 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177841 (current) | 2016-03-05 | cif/ Updating files of 7037891, 7037892, 7037893, 7037894, 7037895, 7037896 Original log message: Adding full bibliography for 7037891--7037896.cif. |
7037894.cif |
| 173644 | 2016-01-07 | cif/ Adding structures of 7037891, 7037892, 7037893, 7037894, 7037895, 7037896 via cif-deposit CGI script. |
7037894.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.