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Information card for entry 4310227
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| Coordinates | 4310227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 2 - oslla - |
|---|---|
| Chemical name | di Hydroxo-Cu(II) Calix[6]arene-tri(O-methyl-imidazole), di- perchlorate, solvate: five CH2Cl2, one ether |
| Formula | C174.58 H230.95 Cl8.05 Cu2 N12 O22.89 |
| Calculated formula | C174.584 H230.948 Cl8.048 Cu2 N12 O22.89 |
| Title of publication | X-ray Diffraction and EXAFS Studies of Hydroxo-Cu(II) Complexes Based on a Calix[6]arene-N3 Ligand: Evidence for a Mononuclear-Dinuclear Equilibrium Controlled by Supramolecular Features |
| Authors of publication | Guillaume Izzet; Yves M. Frapart; Thierry Prangé; Karine Provost; Alain Michalowicz; Olivia Reinaud |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 9743 - 9751 |
| a | 15.279 ± 0.004 Å |
| b | 16.13 ± 0.004 Å |
| c | 22.828 ± 0.004 Å |
| α | 69.67 ± 0.08° |
| β | 80.58 ± 0.08° |
| γ | 64.63 ± 0.08° |
| Cell volume | 4766 ± 4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.2194 |
| Weighted residual factors for all reflections included in the refinement | 0.2229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.952 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179141 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02. |
4310227.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310227.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310227.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310227.cif |
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