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Information card for entry 7033941
Preview
| Coordinates | 7033941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H26 B19 Co |
|---|---|
| Calculated formula | C9 H26 B19 Co |
| SMILES | [C]1234([CH]567[Co]89%10%11%12%131([BH]1%142[BH]2%153[BH]345[BH]45%15[BH]%15%142[BH]291[BH]168[BH]734[BH]5%1521)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121 |
| 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 | 6.7993 ± 0.0005 Å |
| b | 14.4533 ± 0.001 Å |
| c | 20.3575 ± 0.0014 Å |
| α | 89.609 ± 0.003° |
| β | 85.554 ± 0.003° |
| γ | 89.158 ± 0.003° |
| Cell volume | 1994.3 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
7033941.cif |
| 134999 | 2015-04-06 | cif/ Updating files of 7033938, 7033939, 7033940, 7033941, 7033942 Original log message: Adding full bibliography for 7033938--7033942.cif. |
7033941.cif |
| 131618 | 2015-02-10 | cif/ Adding structures of 7033938, 7033939, 7033940, 7033941, 7033942 via cif-deposit CGI script. |
7033941.cif |
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Users of the data should acknowledge the original authors of the
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