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Information card for entry 7014363
Preview
| Coordinates | 7014363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H87 Cu2 N O7 P4 S3 |
|---|---|
| Calculated formula | C85 H87 Cu2 N O7 P4 S3 |
| SMILES | [Cu]1([S]2[Cu]([S]=C2N1S(=O)(=O)c1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC.OC.OC.OC |
| Title of publication | Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes. |
| Authors of publication | Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 623 - 631 |
| a | 19.785 ± 0.002 Å |
| b | 16.651 ± 0.002 Å |
| c | 24.213 ± 0.003 Å |
| α | 90° |
| β | 94.18 ± 0.002° |
| γ | 90° |
| Cell volume | 7955.5 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1319 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43. |
7014363.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014363.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014363.cif |
| 14736 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014363, 7014364, 7014365, 7014366 via cif-deposit CGI script. |
7014363.cif |
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