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Information card for entry 7026612
Preview
| Coordinates | 7026612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H76 N34 Ni8 O20 |
|---|---|
| Calculated formula | C62 H60 N34 Ni8 O20 |
| SMILES | c1cccc2C3=[N]4[O]5[Ni]67([n]8ccccc8C8=[N]6[O]6[Ni]4([n]12)(O[N]1=C(N)c2[n]([Ni]61N8)cccc2)([O]1[N]2=C(c4cccc[n]4[Ni]462NC2=[N]8[O]6[Ni]614([n]1ccccc1C1=[N]6[O]4[Ni]8([n]8ccccc28)(O[N]2=C(N)c8[n](cccc8)[Ni]42N1)([O]7[N]1=C(c2cccc[n]2[Ni]51N3)N)[n]1cc[nH]c1)[n]1cc[nH]c1)N)[n]1cc[nH]c1)[n]1cc[nH]c1.O=N(=O)[O-].OC.O.O.O=N(=O)[O-].OC.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 | 12.939 ± 0.001 Å |
| b | 18.097 ± 0.002 Å |
| c | 20.456 ± 0.002 Å |
| α | 90° |
| β | 112.94 ± 0.01° |
| γ | 90° |
| Cell volume | 4411.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.254 |
| Residual factor for significantly intense reflections | 0.0972 |
| Weighted residual factors for significantly intense reflections | 0.1996 |
| Weighted residual factors for all reflections included in the refinement | 0.2455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| 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. |
7026612.cif |
| 93543 | 2014-01-13 | cif/ Adding structures of 7026607, 7026608, 7026609, 7026610, 7026611, 7026612, 7026613 via cif-deposit CGI script. |
7026612.cif |
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Users of the data should acknowledge the original authors of the
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