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Information card for entry 2103139
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| Coordinates | 2103139.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C74 H16 Cr |
|---|---|
| Calculated formula | C150 H20 Cr2 |
| SMILES | c12c3c4c5c6c1c1c7c8c2c2c3c3c9c4c4c%10c%11c%12c%13c%14c%15c%16c%17c%18c%14c%14c%19c%20c%18c%18c%17c%17c(c7c%18c8c%20c2c%19c3c(c9%11)c%13%14)[C-]2c3c%17c%16c7c%15c%12c%10c8c(c54)c(c3c78)c6C12C12c3c4c5c6[C-]1c1c7c8c2c2c3c3c9c4c4c%10c%11c%12c%13c%14c%15c%16c%17c%18c%14c%14c%19c%20c%18c%18c%17c%17c(c7c%18c8c%20c2c%19c3c(c9%11)c%13%14)c2c3c%17c%16c7c%15c%12c%10c8c(c54)c(c3c78)c6c12.[Cr]123456789%10([cH]%11[cH]6[cH]7[cH]8[cH]9[c]%10%11C)[cH]6[cH]2[cH]1[cH]3[cH]4[c]56C.[Cr]123456789%10([cH]%11[cH]6[cH]7[cH]8[cH]9[c]%10%11C)[cH]6[cH]2[cH]1[cH]3[cH]4[c]56C |
| Title of publication | Reversible dimerization of C~60~ molecules in the crystal structure of the bis(arene)chromium fulleride [Cr(C~7~H~8~)]~2~C~60~ |
| Authors of publication | Hönnerscheid, Andreas; Dinnebier, Robert; Jansen, Martin |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | 482 - 488 |
| a | 13.6414 ± 0.0008 Å |
| b | 13.8338 ± 0.0007 Å |
| c | 13.8548 ± 0.0007 Å |
| α | 91.83 ± 0.003° |
| β | 116.776 ± 0.002° |
| γ | 119.333 ± 0.0019° |
| Cell volume | 1924.78 Å3 |
| Ambient diffraction temperature | 235 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 0.86 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203217 (current) | 2017-11-15 | cif/2/10/ Updating bibliography in entries 2103096, 2103097, 2103098, 2103099, 2103100, 2103101, 2103102, 2103105, 2103106, 2103107, 2103108, 2103109, 2103110, 2103111, 2103112, 2103113, 2103114, 2103115, 2103116, 2103117, 2103118, 2103119, 2103123, 2103124, 2103133, 2103134, 2103135, 2103136, 2103139. |
2103139.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2103139.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2103139.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2103139.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2103139.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2103139.cif |
| 361 | 2008-04-19 | Adding files from the Acta-Cryst-B-2002-03/ deposition. |
2103139.cif |
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