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Information card for entry 7034540
Preview
| Coordinates | 7034540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H90 N6 Ni O6 |
|---|---|
| Calculated formula | C46 H90 N6 Ni O6 |
| SMILES | C1(=O)C(=O)N(CC)[Ni]23N(C(=O)C(=O)N3CC)c3c(N12)cccc3.C(CCC)[N+](CCCC)(CCCC)CCCC.O.C(CCC)[N+](CCCC)(CCCC)CCCC.O |
| Title of publication | Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes. |
| Authors of publication | Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 17 |
| Pages of publication | 8062 - 8079 |
| a | 24.3834 ± 0.0007 Å |
| b | 13.4528 ± 0.0003 Å |
| c | 15.9421 ± 0.0004 Å |
| α | 90° |
| β | 110.328 ± 0.003° |
| γ | 90° |
| Cell volume | 4903.7 ± 0.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180051 (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 7/03/45. |
7034540.cif |
| 138738 | 2015-06-07 | cif/ Updating files of 7034539, 7034540, 7034541, 7034542, 7034543, 7034544, 7034545 Original log message: Adding full bibliography for 7034539--7034545.cif. |
7034540.cif |
| 134310 | 2015-03-24 | cif/ Adding structures of 7034539, 7034540, 7034541, 7034542, 7034543, 7034544, 7034545 via cif-deposit CGI script. |
7034540.cif |
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Users of the data should acknowledge the original authors of the
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