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Information card for entry 4325764
Preview
| Coordinates | 4325764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H112 N2 O6 Zn |
|---|---|
| Calculated formula | C92 H112 N2 O6 Zn |
| SMILES | c12c3c(cc(c1Oc1c4N2[Zn]25(O3)(N3c6c(c(cc(c6Oc6c3c(O5)c(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O2)Oc4c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands |
| Authors of publication | Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7022 - 7032 |
| a | 20.5359 ± 0.0015 Å |
| b | 18.5434 ± 0.0014 Å |
| c | 21.0061 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7999.2 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.791 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325764.cif |
| 179360 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57. |
4325764.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325764.cif |
| 46800 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325764 via cif-deposit CGI script. |
4325764.cif |
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