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Information card for entry 4112141
Preview
| Coordinates | 4112141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H69 Cl9 Si5 |
|---|---|
| Calculated formula | C108 H69 Cl9 Si5 |
| SMILES | C12C3=C4C5=C1[C@@]1(c6c7[C@]5(c5c8[C@]4(c4c9[C@]3(c3c%10C2(c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c3c4c5c61)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection |
| Authors of publication | Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 432 - 433 |
| a | 17.991 ± 0.0016 Å |
| b | 19.907 ± 0.002 Å |
| c | 23.959 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8580.8 ± 1.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0787 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178892 (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 4/11/21. |
4112141.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112141.cif |
| 64503 | 2012-08-17 | cif/ Adding structures of 4112141 via cif-deposit CGI script. |
4112141.cif |
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