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Information card for entry 4503083
Preview
| Coordinates | 4503083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H40 Hg2 N4 S8 |
|---|---|
| Calculated formula | C80 H40 Hg2 N4 S8 |
| SMILES | C1(N(CC)CC)=[S][Hg]2(S1)[S]=C(N(CC)CC)S[Hg]1([S]=C(N(CC)CC)S1)[S]=C(N(CC)CC)S2.c12c3c4c5c6c7c8c5c5c9c4c4c3c3c%10c%11c%12c%13c%14c%15c%12c%12c%10c4c4c9c9c5c5c8c8c%10c5c5c9c(c%124)c%15c5c4c%14c5c(c%104)c4c8c7c7c4c4c5c%13c5c4c(c7c26)c1c3c%115 |
| Title of publication | Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity |
| Authors of publication | Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 1161 |
| a | 16.1521 ± 0.0005 Å |
| b | 16.9573 ± 0.0004 Å |
| c | 10.556 ± 0.0003 Å |
| α | 90° |
| β | 99.733 ± 0.001° |
| γ | 90° |
| Cell volume | 2849.63 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0255 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179561 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30. |
4503083.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503083.cif |
| 41339 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503083 via cif-deposit CGI script. |
4503083.cif |
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Users of the data should acknowledge the original authors of the
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