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Information card for entry 4110315
Preview
| Coordinates | 4110315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 10 |
|---|---|
| Formula | C80 H104 Sn2 |
| Calculated formula | C80 H104 Sn2 |
| SMILES | C(C)(c1c(c2c([Sn]3[H][Sn](c4c(cc(cc4c4c(cccc4C(C)C)C(C)C)C(C)(C)C)c4c(cccc4C(C)C)C(C)C)[H]3)c(cc(c2)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)c(ccc1)C(C)C)C.c1ccccc1.c1ccccc1 |
| Title of publication | Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System |
| Authors of publication | Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 16197 - 16208 |
| a | 17.488 ± 0.003 Å |
| b | 11.6926 ± 0.0017 Å |
| c | 17.666 ± 0.003 Å |
| α | 90° |
| β | 94.351 ± 0.003° |
| γ | 90° |
| Cell volume | 3601.9 ± 1 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178874 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03. |
4110315.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110315.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110315.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110315.cif |
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