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Information card for entry 4001067
Preview
| Coordinates | 4001067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 Cd N6 O4.5 S2 |
|---|---|
| Calculated formula | C14 H17 Cd N6 O4.5 S2 |
| SMILES | NC(=[S][Cd]12([S]=C(N)N)(OC(=O)c3n2cccc3)OC(=O)c2n1cccc2)N.O |
| Title of publication | Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition |
| Authors of publication | Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2009 |
| Journal volume | 21 |
| Journal issue | 23 |
| Pages of publication | 5617 |
| a | 24.128 ± 0.005 Å |
| b | 9.5953 ± 0.0019 Å |
| c | 17.986 ± 0.004 Å |
| α | 90° |
| β | 109.6 ± 0.03° |
| γ | 90° |
| Cell volume | 3922.8 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001067.cif |
| 170537 | 2015-11-25 | cif/4 Fixing Z and Z' values and formulae |
4001067.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001067.cif |
| 38955 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4001066, 4001067, 4001068, 4001069, 4001070 via cif-deposit CGI script. |
4001067.cif |
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Users of the data should acknowledge the original authors of the
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