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Information card for entry 4334097
Preview
| Coordinates | 4334097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H62 Cu2 N4 Na4 O30 Zn2 |
|---|---|
| Calculated formula | C47 H62 Cu2 N4 Na4 O30 Zn2 |
| SMILES | c1c2c(C[N]34CC(=O)O[Cu]54(OC2=O)[O]2C(C3)C[N]34CC(=O)O[Zn]24(OC(=O)c2c(C3)cccc2)[OH][Cu]234[N](CC(=O)O3)(Cc3ccccc3C(O4)=O)CC3C[N]46CC(=O)O[Zn]4([O]32)(OC(=O)c2c(C6)cccc2)[OH]5)ccc1.[Na+].O.OC.O.[Na+].O.[Na+].O.O.O.O.[Na+].O.O |
| Title of publication | Synthesis, Structure, Spectroscopic Characterization, and Protein Binding Affinity of New Water-Soluble Hetero- and Homometallic Tetranuclear [CuII2ZnII2] and [CuII4] Clusters |
| Authors of publication | Ayan Patra; Tamal K. Sen; Atanu Ghorai; Ghezai T. Musie; Swadhin K. Mandal; Utpal Ghosh; Manindranath Bera |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 2880 - 2890 |
| a | 14.0024 ± 0.0009 Å |
| b | 15.4647 ± 0.0009 Å |
| c | 17.0062 ± 0.001 Å |
| α | 77.94 ± 0.003° |
| β | 68.504 ± 0.003° |
| γ | 64.402 ± 0.003° |
| Cell volume | 3084.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286259 (current) | 2023-09-07 | cif/4 Fixing Z values and formulae |
4334097.cif |
| 179443 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40. |
4334097.cif |
| 99910 | 2014-02-04 | cif/ Adding structures of 4334097 via cif-deposit CGI script. |
4334097.cif |
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Users of the data should acknowledge the original authors of the
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