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Information card for entry 7011532
Preview
| Coordinates | 7011532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H28 Cu2 N8 O14 |
|---|---|
| Calculated formula | C35 H26 Cu2 N8 O14 |
| SMILES | [Cu]123(OC4=C5O[Cu]67([O]=C5C(=O)C4=[O]1)([OH2])[n]1ccccc1c1cccc([n]61)c1cccc[n]71)([OH2])[n]1ccccc1c1cccc([n]21)c1cccc[n]31.O=N(=O)[O-].O=N(=O)[O-].O |
| Title of publication | Syntheses, crystal structures and magnetic properties of di- and trinuclear croconato-bridged copper(ii) complexes |
| Authors of publication | Castro, Isabel; Calatayud, María Luisa; Lloret, Francesc; Sletten, Jorunn; Julve, Miguel |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 11 |
| Pages of publication | 2397 |
| a | 9.5413 ± 0.0014 Å |
| b | 13.473 ± 0.002 Å |
| c | 15.059 ± 0.002 Å |
| α | 86.678 ± 0.012° |
| β | 72.591 ± 0.012° |
| γ | 79.61 ± 0.012° |
| Cell volume | 1816.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7011532.cif |
| 179819 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15. |
7011532.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011532.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011532.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011532.cif |
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