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Information card for entry 4325050
Preview
| Coordinates | 4325050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 B2 Cu8 I6 N12 S6 W2 |
|---|---|
| Calculated formula | C30 H44 B2 Cu8 I6 N12 S6 W2 |
| SMILES | [BH]12n3[n]([W]45678([n]9c(C)cc(n19)C)([n]1n2c(cc1C)C)[S]1[Cu]29%106[S]5[Cu]5689[S]4[Cu]7125[I]1[Cu]24([I]5[Cu]789%11[S]%12[W]%13%14%15%16%178([n]8c(C)cc(C)n8[BH](n8c(cc(C)[n]%138)C)n8[n]%14c(C)cc8C)[S]7[Cu]7%11%17([I][Cu]145[I]%10)[S]%15[Cu]9%12%167[I]2)[I]6)c(C)cc3C |
| Title of publication | Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)] |
| Authors of publication | Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4493 - 4502 |
| a | 10.737 ± 0.002 Å |
| b | 11.346 ± 0.002 Å |
| c | 13.669 ± 0.003 Å |
| α | 65.96 ± 0.03° |
| β | 69.89 ± 0.03° |
| γ | 79.8 ± 0.03° |
| Cell volume | 1426.7 ± 0.6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1383 |
| Residual factor for significantly intense reflections | 0.1327 |
| Weighted residual factors for significantly intense reflections | 0.3363 |
| Weighted residual factors for all reflections included in the refinement | 0.3457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179353 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50. |
4325050.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325050.cif |
| 43502 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325050 via cif-deposit CGI script. |
4325050.cif |
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Users of the data should acknowledge the original authors of the
structural data.