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Information card for entry 7031857
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| Coordinates | 7031857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (nBu4N)2[Cu{Cu(dnopba)}2](dmso)4 |
|---|---|
| Formula | C30 H50 Cu1.5 N5 O12 S2 |
| Calculated formula | C30 H50 Cu1.5 N5 O12 S2 |
| Title of publication | Discrete trinuclear copper(ii) compounds as building blocks: the influence of the peripheral substituents on the magnetic coupling in oxamato-bridged complexes. |
| Authors of publication | Barros, Wdeson P.; da Silva, Beatriz C.; Reis, Natália V; Pereira, Cynthia L. M.; Doriguetto, Antônio C; Cano, Joan; Pirota, Kleber R.; Pedroso, Emerson F.; Julve, Miguel; Stumpf, Humberto O. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 39 |
| Pages of publication | 14586 - 14595 |
| a | 10.6674 ± 0.0004 Å |
| b | 13.1267 ± 0.0005 Å |
| c | 14.6733 ± 0.0006 Å |
| α | 85.761 ± 0.003° |
| β | 77.173 ± 0.003° |
| γ | 68.322 ± 0.004° |
| Cell volume | 1861.63 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180024 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18. |
7031857.cif |
| 124754 | 2014-10-06 | cif/ Updating files of 7031857, 7031858 Original log message: Adding full bibliography for 7031857--7031858.cif. |
7031857.cif |
| 121049 | 2014-08-01 | cif/ Adding structures of 7031857, 7031858 via cif-deposit CGI script. |
7031857.cif |
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Users of the data should acknowledge the original authors of the
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