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Information card for entry 7032917
Preview
| Coordinates | 7032917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H30 Co4 N13 O4 S6 |
|---|---|
| Calculated formula | C42 H30 Co4 N13 O4 S6 |
| SMILES | c12ccccc2[nH]c2[n]1[Co]13[n]4c5ccccc5[nH]c4S[Co]45[O]61[Co](S2)(Sc1[n]4c2ccccc2[nH]1)Sc1[n](c2ccccc2[nH]1)[Co]6([n]1c(S3)[nH]c2ccccc12)Sc1[n]5c2ccccc2[nH]1.N(=O)(=O)[O-] |
| 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 | 18.737 ± 0.002 Å |
| b | 18.737 ± 0.002 Å |
| c | 18.737 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6578.1 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| 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. |
7032917.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. |
7032917.cif |
| 125828 | 2014-10-25 | cif/ Adding structures of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 via cif-deposit CGI script. |
7032917.cif |
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Users of the data should acknowledge the original authors of the
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