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Information card for entry 4301106
Preview
| Coordinates | 4301106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H58 Cu2 N4 O14 P2 |
|---|---|
| Calculated formula | C46 H58 Cu2 N4 O14 P2 |
| SMILES | c1(c(cccc1C)C)OP1(=O)O[Cu]2([n]3c4c5[n]2cccc5ccc4ccc3)([OH]C)OP(=O)(O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)(O1)[OH]C)Oc1c(cccc1C)C.OC.OC.OC.OC |
| Title of publication | Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands |
| Authors of publication | Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 183 - 192 |
| a | 22.0352 ± 0.0013 Å |
| b | 10.5235 ± 0.0006 Å |
| c | 22.1141 ± 0.0013 Å |
| α | 90° |
| β | 108.522 ± 0.005° |
| γ | 90° |
| Cell volume | 4862.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4301106.cif |
| 179049 | 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 4/30/11. |
4301106.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301106.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301106.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301106.cif |
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