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Information card for entry 7052000
Preview
| Coordinates | 7052000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 1 Se2S2 |
|---|---|
| Formula | C32 H22 S2 Se2 |
| Calculated formula | C32 H22 S2 Se2 |
| SMILES | [Se]([Se]c1cccc2cccc(Sc3ccccc3)c12)c1cccc2cccc(Sc3ccccc3)c12 |
| Title of publication | Extended hypervalent E′⋯E‒E⋯E′ 4c‒6e (E, E′ = Se, S) interactions: structure, stability and reactivity of 1-(8-PhE′C10H6)EE(C10H6E′Ph-8′)-1′ |
| Authors of publication | Nakanishi, Waro; Hayashi, Satoko; Morinaka, Sayuri; Sasamori, Takahiro; Tokitoh, Norihiro |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2008 |
| Journal volume | 32 |
| Journal issue | 11 |
| Pages of publication | 1881 |
| a | 9.579 ± 0.003 Å |
| b | 11.979 ± 0.004 Å |
| c | 12.141 ± 0.004 Å |
| α | 91.773 ± 0.004° |
| β | 102.912 ± 0.004° |
| γ | 110.758 ± 0.002° |
| Cell volume | 1260.5 ± 0.7 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052000.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7052000.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052000.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052000.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7052000.cif |
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