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Information card for entry 4303269
Preview
| Coordinates | 4303269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H108 Cl K N8 Ni3 O27 |
|---|---|
| Calculated formula | C82 H108 Cl K N8 Ni3 O27 |
| SMILES | N#CC.[K]123([O]4C(=O)[C@@H]([NH]5[Ni]674([OH]c4ccccc4C5)[NH](Cc4c(cccc4)[OH]6)[C@H](C(=O)[O]27)CC(C)C)CC(C)C)([O]2C(=O)[C@@H]([NH]4Cc5c(cccc5)[OH][Ni]5624[NH](Cc2c(cccc2)[OH]5)[C@@H](CC(C)C)C(=O)[O]16)CC(C)C)[O]1C(=O)[C@@H]([NH]2Cc4c(cccc4)[OH][Ni]4512[NH](Cc1c(cccc1)[OH]4)[C@@H](CC(C)C)C(=O)[O]35)CC(C)C.O.O.Cl(=O)(=O)(=O)[O-].O.N#CC.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 | 17.6885 ± 0.0007 Å |
| b | 20.9207 ± 0.0008 Å |
| c | 26.7585 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9902.1 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0653 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179070 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/32. |
4303269.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303269.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303269.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303269.cif |
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