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Information card for entry 7705088
Preview
| Coordinates | 7705088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H96 O5 S4 Si2 |
|---|---|
| Calculated formula | C62 H96 O5 S4 Si2 |
| SMILES | Oc1c2cc(cc1Sc1c(O[Si](C(C)C)(C(C)C)C(C)C)c(Sc3c(O)c(Sc4c(O[Si](C(C)C)(C(C)C)C(C)C)c(S2)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C.O1CCCC1 |
| Title of publication | Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene. |
| Authors of publication | Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 35 |
| Pages of publication | 12234 - 12241 |
| a | 13.51 ± 0.002 Å |
| b | 15.106 ± 0.002 Å |
| c | 16.04 ± 0.002 Å |
| α | 79.593 ± 0.005° |
| β | 81.074 ± 0.004° |
| γ | 89.23 ± 0.006° |
| Cell volume | 3180.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0862 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705088.cif |
| 257569 | 2020-10-06 | cif/ Updating files of 7705084, 7705085, 7705086, 7705087, 7705088 Original log message: Adding full bibliography for 7705084--7705088.cif. |
7705088.cif |
| 255231 | 2020-08-11 | cif/ Adding structures of 7705084, 7705085, 7705086, 7705087, 7705088 via cif-deposit CGI script. |
7705088.cif |
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Users of the data should acknowledge the original authors of the
structural data.