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Information card for entry 7012634
Preview
| Coordinates | 7012634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | octa(prolinato)hexacopper(II)- sodium perchrolate methanol water solvate |
|---|---|
| Formula | C41 H70 Cl5 Cu6 N8 Na O38 |
| Calculated formula | C41 H64 Cl5 Cu6 N8 Na O38 |
| Title of publication | Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(II) barrel clusters with spin ground state S= 3 |
| Authors of publication | Li-Yan Wang; Satoshi Igarashi; Yasuhiko Yukawa; Yoshimasa Hoshino; Olivier Roubeau; Guillem Aromí; Richard E. P. Winpenny |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 11 |
| Pages of publication | 2318 - 2324 |
| a | 13.708 ± 0.001 Å |
| b | 13.708 Å |
| c | 18.078 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3397 ± 0.5 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 7 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288178 (current) | 2023-12-08 | cif/ Corrected the misspelt variants of the '_diffrn_radiation_monochromator' data name in multiple entries. |
7012634.cif |
| 211332 | 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. |
7012634.cif |
| 192778 | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5003). The correction was mainly focused on removing misspelt versions of the '_exptl_crystal_F_000' data item. |
7012634.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7012634.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012634.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012634.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012634.cif |
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Users of the data should acknowledge the original authors of the
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