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Information card for entry 4306523
Preview
| Coordinates | 4306523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Lithium dodecahydrododecaborate |
|---|---|
| Formula | B12 H12 Li2 |
| Calculated formula | B12 H12 Li2 |
| SMILES | [BH]1234[BH]567[BH]892[BH]2%101[BH]1%118[BH]8%12%13[BH]591[BH]168[BH]547[BH]43%10[BH]2%11%12[BH]%13154.[Li+].[Li+] |
| Title of publication | Crystal Structure of Li2B12H12: a Possible Intermediate Species in the Decomposition of LiBH4 |
| Authors of publication | Jae-Hyuk Her; Muhammed Yousufuddin; Wei Zhou; Satish S. Jalisatgi; James G. Kulleck; Jason A. Zan; Son-Jong Hwang; Robert C. Bowman; Terrence J. Udovic |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 9757 - 9759 |
| a | 9.57713 ± 0.00021 Å |
| b | 9.57713 ± 0.00021 Å |
| c | 9.57713 ± 0.00021 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 878.43 ± 0.03 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor R(I) for significantly intense reflections | 0.013 |
| Goodness-of-fit parameter for all reflections | 1.244 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54059 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4306523.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306523.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306523.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4306523.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306523.cif |
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