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Information card for entry 4303274
Preview
| Coordinates | 4303274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H108 Cu3 K N7 O31 |
|---|---|
| Calculated formula | C80 H108 Cu3 K N7 O31 |
| SMILES | C1[NH]2[Cu]345([NH](Cc6c([OH]5)cccc6)[C@H](C(=O)[O]4[K]45([O]3C(=O)[C@@H]2CC(C)C)([O]2C(=O)[C@@H]([NH]3Cc6c(cccc6)[OH][Cu]6723[NH](Cc2c([OH]6)cccc2)[C@H](C(=O)[O]47)CC(C)C)CC(C)C)[O]2C(=O)[C@H](CC(C)C)[NH]3Cc4c([OH][Cu]6723[NH](Cc2c([OH]7)cccc2)[C@H](C(=O)[O]56)CC(C)C)cccc4)CC(C)C)[OH]c2ccccc12.N(=O)(=O)[O-].CO.O.O.O.O.CO.O.O.O |
| Title of publication | Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand |
| Authors of publication | Mrigendra Dubey; Rik Rani Koner; Manabendra Ray |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 9294 - 9302 |
| a | 17.8717 ± 0.0016 Å |
| b | 21.262 ± 0.002 Å |
| c | 26.901 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10222.1 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4303274.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303274.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303274.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303274.cif |
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