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Information card for entry 7004464
Preview
| Coordinates | 7004464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103.25 H128 O7 |
|---|---|
| Calculated formula | C103.25 H128 O7 |
| Title of publication | Carborane inclusion chemistry for the uncommon calix[7,9]arenes |
| Authors of publication | Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 36 |
| Pages of publication | 4855 - 4859 |
| a | 16.946 ± 0.003 Å |
| b | 18.816 ± 0.002 Å |
| c | 30.047 ± 0.003 Å |
| α | 95.586 ± 0.009° |
| β | 90.174 ± 0.011° |
| γ | 108.796 ± 0.012° |
| Cell volume | 9021 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0979 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2338 |
| Weighted residual factors for all reflections included in the refinement | 0.251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179748 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44. |
7004464.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7004464.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004464.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004464.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004464.cif |
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