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Information card for entry 4307151
Preview
| Coordinates | 4307151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 Cu2 N4 O12 |
|---|---|
| Calculated formula | C26 H20 Cu2 N4 O12 |
| SMILES | [Cu]123([n]4c(c5[n]3cccc5)cccc4)[O]([Cu]34([n]5c(c6[n]4cccc6)cccc5)[O]1C(=O)C(O)(O)C(=O)O3)C(=O)C(O)(O)C(=O)O2 |
| Title of publication | Tetrahydroxy-p-benzoquinone as a Source of Polydentate O-Donor Ligands. Synthesis, Crystal Structure, and Magnetic Properties of the [Cu(bpy)(dhmal)]2 Dimer and the Two-Dimensional [{SiW12O40}{Cu2(bpy)2(H2O)(ox)}2].16H2O Inorganic-Metalorganic Hybrid |
| Authors of publication | Santiago Reinoso; Pablo Vitoria; Leire San Felices; Ainara Montero; Luis Lezama; Juan M. Gutiérrez-Zorrilla |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 1237 - 1249 |
| a | 8.4965 ± 0.0006 Å |
| b | 9.3315 ± 0.0011 Å |
| c | 9.7891 ± 0.001 Å |
| α | 60.807 ± 0.011° |
| β | 68.977 ± 0.008° |
| γ | 88.397 ± 0.007° |
| Cell volume | 622.07 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0755 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4307151.cif |
| 179109 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/71. |
4307151.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307151.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307151.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307151.cif |
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