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Information card for entry 4340170
Preview
| Coordinates | 4340170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H63 Cl8 Cu2 N7 O12 |
|---|---|
| Calculated formula | C56 H63 Cl8 Cu2 N7 O12 |
| SMILES | [Cu]123([OH][Cu]45([O]=C(O1)C1(C)C[C@]6(C(=O)N(C(=O)[C@](C)(C6)C1)c1cc(N6C(=O)[C@@]7(C)CC(C(=[O]2)O4)(C)C[C@](C6=O)(C)C7)c(cc1C)C)C)[n]1ccccc1c1[n]5cccc1)[n]1ccccc1c1[n]3cccc1.ClCCl.ClCCl.ClCCl.ClCCl.O=N(=O)[O-] |
| Title of publication | Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase. |
| Authors of publication | Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 2925 - 2941 |
| a | 15.183 ± 0.004 Å |
| b | 18.529 ± 0.007 Å |
| c | 11.838 ± 0.004 Å |
| α | 101.53 ± 0.03° |
| β | 103.25 ± 0.03° |
| γ | 94.61 ± 0.03° |
| Cell volume | 3148.3 ± 1.9 Å3 |
| Cell temperature | 154.2 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 significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.124 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340170.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4340170.cif |
| 118658 | 2014-06-30 | cif/ Adding structures of 4340167, 4340168, 4340169, 4340170, 4340171, 4340172, 4340173, 4340174, 4340175, 4340176, 4340177, 4340178, 4340179, 4340180 via cif-deposit CGI script. |
4340170.cif |
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Users of the data should acknowledge the original authors of the
structural data.