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Information card for entry 7052907
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| Coordinates | 7052907.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-tricopper(II) |
|---|---|
| Formula | C16 H40 Br2 Cu3 N4 O4 |
| Calculated formula | C16 H40 Br2 Cu3 N4 O4 |
| SMILES | [Cu]123([O](C[C@H]([NH2]1)CC)[Cu]1([O](C[C@H]([NH2]4)CC)[Cu]45(Br)[O]1C[C@H]([NH2]5)CC)[O]2C[C@H]([NH2]3)CC)Br |
| Title of publication | Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands |
| Authors of publication | Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 8 |
| Pages of publication | 1596 |
| a | 9.0782 ± 0.0018 Å |
| b | 11.603 ± 0.002 Å |
| c | 12.489 ± 0.003 Å |
| α | 102.76 ± 0.03° |
| β | 100.94 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 1258.5 ± 0.5 Å3 |
| Cell temperature | 118 ± 2 K |
| Ambient diffraction temperature | 118 ± 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 | 0.1358 |
| Residual factor for significantly intense reflections | 0.0994 |
| Weighted residual factors for significantly intense reflections | 0.2423 |
| Weighted residual factors for all reflections included in the refinement | 0.273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180083 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/29. |
7052907.cif |
| 123941 | 2014-09-17 | cif/7 Fixing Z value and formulae for several entries |
7052907.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052907.cif |
| 64376 | 2012-08-12 | cif/ Adding structures of 7052906, 7052907, 7052908, 7052909, 7052910 via cif-deposit CGI script. |
7052907.cif |
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