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Information card for entry 4000725
Preview
Coordinates | 4000725.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H40 Cd N6 S4 |
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Calculated formula | C20 H40 Cd N6 S4 |
SMILES | CCN(C1=NC(=[S][Cd]2(S1)SC(=NC(=[S]2)N(CC)CC)N(CC)CC)N(CC)CC)CC |
Title of publication | Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films |
Authors of publication | Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul |
Journal of publication | Chemistry of Materials |
Year of publication | 2011 |
Journal volume | 23 |
Journal issue | 6 |
Pages of publication | 1471 |
a | 9.1838 ± 0.0011 Å |
b | 16.135 ± 0.002 Å |
c | 19.005 ± 0.002 Å |
α | 98.794 ± 0.002° |
β | 92.691 ± 0.003° |
γ | 90.956 ± 0.002° |
Cell volume | 2779.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0902 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.684 |
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. |
4000725.cif |
114053 | 2014-05-21 | cif/ Updating files of 4000725, 4000726, 4000727 Original log message: Adding full bibliography for 4000725--4000727.cif. |
4000725.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000725.cif |
34917 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000725 via cif-deposit CGI script. |
4000725.cif |
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