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Information card for entry 7215874
Preview
| Coordinates | 7215874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H70 Cd2 N14 O2 S8 |
|---|---|
| Calculated formula | C70 H70 Cd2 N14 O2 S8 |
| SMILES | C(=O)N(C)C.C1(=[S][Cd]23(S1)[S]=C(N(Cc1ccc[n](c1)[Cd]14([S]=C(N(Cc5cccnc5)Cc5c[nH]c6ccccc56)S1)[S]=C(N(Cc1ccc[n]3c1)Cc1c[nH]c3ccccc13)S4)Cc1c[nH]c3ccccc13)S2)N(Cc1cccnc1)Cc1c[nH]c2ccccc12.C(=O)N(C)C |
| Title of publication | Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates |
| Authors of publication | Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 29 |
| Pages of publication | 6765 |
| a | 12.3203 ± 0.0018 Å |
| b | 12.758 ± 0.002 Å |
| c | 13.4692 ± 0.0019 Å |
| α | 109.13 ± 0.016° |
| β | 96.998 ± 0.012° |
| γ | 107.782 ± 0.015° |
| Cell volume | 1845.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180489 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58. |
7215874.cif |
| 119412 | 2014-07-07 | cif/ Updating files of 7215870, 7215871, 7215872, 7215873, 7215874, 7215875 Original log message: Adding full bibliography for 7215870--7215875.cif. |
7215874.cif |
| 113622 | 2014-05-13 | cif/ Adding structures of 7215870, 7215871, 7215872, 7215873, 7215874, 7215875 via cif-deposit CGI script. |
7215874.cif |
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