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Information card for entry 4325864
Preview
| Coordinates | 4325864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H50 Cl2 Cu4 N20 O10 |
|---|---|
| Calculated formula | C48 H50 Cl2 Cu4 N20 O10 |
| SMILES | c12c3cc(cc1C=[N]1CCc4[n](cccc4)[Cu]451[N](=N#N)[Cu]1([n]6c(CC[N]1=C3)cccc6)([O]24)N=N#[N][Cu]123[N](=Cc4c6c(cc(c4)CC)C=[N]4CCc7[n](cccc7)[Cu]4([N]2=N#N)([O]36)N=N#[N]5)CCc2[n]1cccc2)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity |
| Authors of publication | Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7540 - 7554 |
| a | 8.9895 ± 0.0002 Å |
| b | 12.0401 ± 0.0003 Å |
| c | 13.2996 ± 0.0003 Å |
| α | 73.845 ± 0.001° |
| β | 86.49 ± 0.001° |
| γ | 74.236 ± 0.001° |
| Cell volume | 1330.47 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
4325864.cif |
| 179361 | 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 4/32/58. |
4325864.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325864.cif |
| 46900 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325864 via cif-deposit CGI script. |
4325864.cif |
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