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Information card for entry 4001070
Preview
| Coordinates | 4001070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H19 Cd N7 O7 S2 |
|---|---|
| Calculated formula | C9 H19 Cd N7 O7 S2 |
| SMILES | NNC(=[S][Cd]123([OH2])([NH2]NC(=[S]1)N)OC(=O)c1[n]3c(C(=O)O2)ccc1)N.O.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 | 9.3152 ± 0.0006 Å |
| b | 11.1894 ± 0.0007 Å |
| c | 17.3774 ± 0.001 Å |
| α | 90° |
| β | 94.253 ± 0.001° |
| γ | 90° |
| Cell volume | 1806.28 ± 0.19 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.633 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4001070.cif |
| 170537 | 2015-11-25 | cif/4 Fixing Z and Z' values and formulae |
4001070.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001070.cif |
| 38955 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4001066, 4001067, 4001068, 4001069, 4001070 via cif-deposit CGI script. |
4001070.cif |
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Users of the data should acknowledge the original authors of the
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