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Information card for entry 2020087
Preview
| Coordinates | 2020087.cif |
|---|---|
| Structure factors | 2020087.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>meso</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)] |
|---|---|
| Formula | C14 H32 B20 Co2 |
| Calculated formula | C14 H32 B20 Co2 |
| SMILES | [C]123([BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]346[BH]657[BH]579[BH]98%14[BH]821[BH]1%153[CH]465[BH]7981)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[C]123[BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]346[BH]657[BH]579[BH]98%14[BH]821[BH]1%153[CH]598[BH]4671)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131 |
| Title of publication | Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate |
| Authors of publication | Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| a | 43.247 ± 0.005 Å |
| b | 8.8497 ± 0.0009 Å |
| c | 13.4476 ± 0.0014 Å |
| α | 90° |
| β | 90.104 ± 0.006° |
| γ | 90° |
| Cell volume | 5146.7 ± 1 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0987 |
| Residual factor for significantly intense reflections | 0.0873 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.253 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020087.cif 2020087.hkl |
| 153455 | 2015-08-16 | cif/ hkl/ Adding structures of 2020086, 2020087 via cif-deposit CGI script. |
2020087.cif 2020087.hkl |
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Users of the data should acknowledge the original authors of the
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