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Information card for entry 7037895
Preview
| Coordinates | 7037895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H62 Cl6 Fe2 N4 O4 |
|---|---|
| Calculated formula | C46 H62 Cl6 Fe2 N4 O4 |
| SMILES | C1c2c(c(cc(c2)C)C)O[Fe]23([N]1(Cc1c(O3)c(cc(c1)C)C)CC[N]2(CC[N]1(CC[N]23Cc4c(c(cc(c4)C)C)O[Fe]13(Oc1c(C2)cc(cc1C)C)Cl)C)C)Cl.C(Cl)Cl.C(Cl)Cl |
| 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 | 8.571 ± 0.0005 Å |
| b | 9.9468 ± 0.0006 Å |
| c | 28.6201 ± 0.0016 Å |
| α | 90° |
| β | 95.343 ± 0.001° |
| γ | 90° |
| Cell volume | 2429.4 ± 0.2 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| 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 |
|---|---|---|---|
| 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. |
7037895.cif |
| 173644 | 2016-01-07 | cif/ Adding structures of 7037891, 7037892, 7037893, 7037894, 7037895, 7037896 via cif-deposit CGI script. |
7037895.cif |
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Users of the data should acknowledge the original authors of the
structural data.