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Information card for entry 7010173
Preview
| Coordinates | 7010173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H50 Cu2 Mn N12 O12 |
|---|---|
| Calculated formula | C44 H50 Cu2 Mn N12 O12 |
| SMILES | c12c(cccc2)C=N(=O)[Cu]23([N]1=C1C(=[N]3c3ccccc3C=[N]2O)O[Mn]2(O1)(OC1C(=[N]3c4ccccc4C=[N](O)[Cu]43([N]=1c1ccccc1C=N4=O)[O]=CN(C)C)O2)([O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C |
| Title of publication | Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound |
| Authors of publication | Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 1 |
| Pages of publication | 64 |
| a | 24.904 ± 0.004 Å |
| b | 10.229 ± 0.002 Å |
| c | 19.581 ± 0.002 Å |
| α | 90° |
| β | 103.93 ± 0.01° |
| γ | 90° |
| Cell volume | 4841.4 ± 1.3 Å3 |
| Cell temperature | 296.2 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 significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.462 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7010173.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. |
7010173.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010173.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010173.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010173.cif |
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