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Information card for entry 2240171
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| Coordinates | 2240171.cif |
|---|---|
| Structure factors | 2240171.hkl |
| Original IUCr paper | HTML |
| Formula | C4 H22 B20 |
|---|---|
| Calculated formula | C4 H22 B20 |
| Title of publication | Definitive crystal structure of 1,1'-bis[1,2-dicarba-<i>closo</i>-dodecaborane(11)] |
| Authors of publication | Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 462 - 465 |
| a | 7.0011 ± 0.0005 Å |
| b | 9.7667 ± 0.0006 Å |
| c | 12.4071 ± 0.0008 Å |
| α | 90° |
| β | 90.375 ± 0.003° |
| γ | 90° |
| Cell volume | 848.35 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.2 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240171.cif 2240171.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240171.cif 2240171.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240171.cif 2240171.hkl |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2240171.cif 2240171.hkl |
| 126289 | 2014-11-06 | cif/ hkl/ Adding structures of 2240171 via cif-deposit CGI script. |
2240171.cif 2240171.hkl |
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Users of the data should acknowledge the original authors of the
structural data.