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Information card for entry 7114256
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| Coordinates | 7114256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dicesium- C70 fulleride dimer - hexamethoxycyclotriveratrylene - N,N-dimethylformamide-benzene solvate |
|---|---|
| Formula | C385 H167 Cs4 N14 O26 |
| Calculated formula | C385 H167 Cs4 N14 O26 |
| Title of publication | The formation of a single-bonded (C70???)2 dimer in a new ionic multicomponent complex of cyclotriveratrylene: (Cs+)2(C70???)2??CTV??(DMF)7(C6H6)0.75 |
| Authors of publication | Konarev, Dmitri V.; Khasanov, Salavat S.; Vorontsov, Ivan I.; Saito, Gunzi; Antipin, Mikhail Yu.; Otsuka, Akihiro; Lyubovskaya, Rimma N. |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 21 |
| Pages of publication | 2548 |
| a | 25.937 ± 0.008 Å |
| b | 29.113 ± 0.011 Å |
| c | 34.221 ± 0.014 Å |
| α | 90° |
| β | 103.328 ± 0.009° |
| γ | 90° |
| Cell volume | 25144 ± 16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2273 |
| Residual factor for significantly intense reflections | 0.104 |
| Weighted residual factors for significantly intense reflections | 0.262 |
| Weighted residual factors for all reflections included in the refinement | 0.3335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180256 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/42. |
7114256.cif |
| 132627 | 2015-03-03 | cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/. |
7114256.cif |
| 116644 | 2014-06-13 | cif/ Adding structures of 7114256 via cif-deposit CGI script. |
7114256.cif |
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