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Information card for entry 7026611
Preview
| Coordinates | 7026611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H80 Br4 N24 Ni8 O26 |
|---|---|
| Calculated formula | C48 H44 Br4 N24 Ni8 O26 |
| SMILES | c1cccc2C(=[N]3O[Ni]456([n]7ccccc7C7[N]84[O]4[Ni]9([N]([O]%10[Ni]4%11([n]4ccccc4C4=[N]%11[O]5[Ni]3(N4)[n]12)([OH2])[N]12[O]3[Ni]45[N]([O]6[Ni]683([n]3ccccc3C3=[N]6[O]6[Ni]8(N3)[n]3ccccc3C(=[N]8O[Ni]26%10([n]2ccccc2C1=[NH]4)[OH2])N)[OH2])=C(c1[n]5cccc1)N)=C(c1[n]9cccc1)N)[NH]=7)[OH2])N.[Br-].[Br-].O.O.O.O.O.O.O.[Br-].[Br-].O.O.O.O.O.O.O |
| Title of publication | Ferromagnetic coupling in oximato-bridged multi-decker Ni(II) clusters. |
| Authors of publication | Kou, Hui-Zhong; An, Guang-Yu; Ji, Cong-Min; Wang, Bing-Wu; Cui, Ai-Li |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 40 |
| Pages of publication | 9604 - 9610 |
| a | 12.313 ± 0.003 Å |
| b | 12.909 ± 0.003 Å |
| c | 13.706 ± 0.003 Å |
| α | 100.29 ± 0.03° |
| β | 111.88 ± 0.03° |
| γ | 97.79 ± 0.03° |
| Cell volume | 1939.8 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.2844 |
| Residual factor for significantly intense reflections | 0.1136 |
| Weighted residual factors for significantly intense reflections | 0.2375 |
| Weighted residual factors for all reflections included in the refinement | 0.3025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179972 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66. |
7026611.cif |
| 93543 | 2014-01-13 | cif/ Adding structures of 7026607, 7026608, 7026609, 7026610, 7026611, 7026612, 7026613 via cif-deposit CGI script. |
7026611.cif |
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Users of the data should acknowledge the original authors of the
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