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Information card for entry 1516260
Preview
| Coordinates | 1516260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H52 Li2 O2 Si2 Sn |
|---|---|
| Calculated formula | C37 H52 Li2 O2 Si2 Sn |
| SMILES | [Sn]123[C]45([C]67([C]89([C]1([Si](C)(C)C)([Li]2468[O]1CCCC1)[Li]3579[O]1CCCC1)c1ccccc1)c1ccccc1)[Si](C)(C)C.c1(ccccc1)C |
| Title of publication | Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles |
| Authors of publication | Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 11 |
| Pages of publication | 2910 |
| a | 8.4097 ± 0.0016 Å |
| b | 13.856 ± 0.002 Å |
| c | 32.621 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3801.2 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0877 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1516260.cif |
| 119252 | 2014-07-05 | cif/ Updating files of 1516259, 1516260, 1516261 Original log message: Adding full bibliography for 1516259--1516261.cif. |
1516260.cif |
| 114398 | 2014-05-24 | cif/ Adding structures of 1516259, 1516260, 1516261 via cif-deposit CGI script. |
1516260.cif |
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Users of the data should acknowledge the original authors of the
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