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Information card for entry 7032912
Preview
| Coordinates | 7032912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H29 Co4 N5 O3 S10 |
|---|---|
| Calculated formula | C40 H29 Co4 N5 O3 S10 |
| SMILES | c12ccccc1sc1[n]2[Co]23[n]4c5ccccc5sc4S[Co]45[n]6c7ccccc7sc6S[Co]6([O]24[Co]([n]2c4ccccc4sc2S6)([n]2c4ccccc4sc2S5)[O]=C(C(C)(C)C)O3)S1 |
| Title of publication | A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation. |
| Authors of publication | Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 560 - 567 |
| a | 12.582 ± 0.003 Å |
| b | 18.775 ± 0.004 Å |
| c | 21.716 ± 0.007 Å |
| α | 90° |
| β | 116.95 ± 0.02° |
| γ | 90° |
| Cell volume | 4573 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180035 (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 7/03/29. |
7032912.cif |
| 131013 | 2015-02-04 | cif/ Updating files of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 Original log message: Adding full bibliography for 7032912--7032919.cif. |
7032912.cif |
| 125828 | 2014-10-25 | cif/ Adding structures of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 via cif-deposit CGI script. |
7032912.cif |
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Users of the data should acknowledge the original authors of the
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