Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4303270
Preview
| Coordinates | 4303270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H116 Cl N8 Na Ni3 O27 |
|---|---|
| Calculated formula | C84 H116 Cl N8 Na Ni3 O27 |
| SMILES | Cl(=O)(=O)(=O)[O-].[Na]123([O]4C(=O)[C@H](CC(C)C)[NH]5[Ni]674([NH](Cc4ccccc4[OH]7)[C@H](C(=O)[O]16)CC(C)C)[OH]c1c(cccc1)C5)([O]1C(=O)[C@@H]([NH]4Cc5ccccc5[OH][Ni]5614[NH]([C@@H](CC(C)C)C(=O)[O]25)Cc1ccccc1[OH]6)CC(C)C)[O]1C(=O)[C@@H]([NH]2Cc4ccccc4[OH][Ni]4512[NH](Cc1ccccc1[OH]5)[C@H](C(=O)[O]34)CC(C)C)CC(C)C.O.OC.O.C(#N)C.O.OC.C(#N)C |
| 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 | 17.7564 ± 0.0008 Å |
| b | 20.9237 ± 0.001 Å |
| c | 26.682 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9913.2 ± 0.8 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4303270.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303270.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303270.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303270.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.