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Information card for entry 7033938
Preview
| Coordinates | 7033938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H38 B19 N |
|---|---|
| Calculated formula | C14 H37 B19 N |
| Title of publication | Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane). |
| Authors of publication | Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 5628 - 5637 |
| a | 18.851 ± 0.009 Å |
| b | 10.072 ± 0.004 Å |
| c | 13.477 ± 0.006 Å |
| α | 90° |
| β | 97.068 ± 0.013° |
| γ | 90° |
| Cell volume | 2539.4 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| 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 | 0.2026 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.1912 |
| Weighted residual factors for all reflections included in the refinement | 0.2451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180045 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/39. |
7033938.cif |
| 134999 | 2015-04-06 | cif/ Updating files of 7033938, 7033939, 7033940, 7033941, 7033942 Original log message: Adding full bibliography for 7033938--7033942.cif. |
7033938.cif |
| 131618 | 2015-02-10 | cif/ Adding structures of 7033938, 7033939, 7033940, 7033941, 7033942 via cif-deposit CGI script. |
7033938.cif |
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Users of the data should acknowledge the original authors of the
structural data.