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Information card for entry 4314929
Preview
| Coordinates | 4314929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B10 H13 I |
|---|---|
| Calculated formula | B10 H13 I |
| SMILES | I[B]1234[BH]567[BH]891[BH]1%105[BH]5%116[BH]6%10([BH]%1091[BH]28([H]4)[H]%10)[BH]15([BH]37%11[H]1)[H]6 |
| Title of publication | Efficient Syntheses of 5-X-B10H13 Halodecaboranes via the Photochemical (X = I) and/or Base-Catalyzed (X = Cl, Br, I) Isomerization Reactions of 6-X-B10H13 |
| Authors of publication | William C. Ewing; Patrick J. Carroll; Larry G. Sneddon |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1983 - 1994 |
| a | 12.803 ± 0.003 Å |
| b | 7.2932 ± 0.0015 Å |
| c | 10.874 ± 0.002 Å |
| α | 90° |
| β | 92.308 ± 0.005° |
| γ | 90° |
| Cell volume | 1014.5 ± 0.4 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4314929.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4314929.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314929.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314929.cif |
| 8072 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314929 via cif-deposit CGI script. |
4314929.cif |
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