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Information card for entry 2020086
Preview
| Coordinates | 2020086.cif |
|---|---|
| Structure factors | 2020086.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</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)] tetrahydrofuran disolvate |
|---|---|
| Formula | C22 H48 B20 Co2 O2 |
| Calculated formula | C22 H48 B20 Co2 O2 |
| 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 | 8.9219 ± 0.0005 Å |
| b | 12.4145 ± 0.0007 Å |
| c | 15.565 ± 0.0009 Å |
| α | 89.659 ± 0.003° |
| β | 79.993 ± 0.004° |
| γ | 76.92 ± 0.003° |
| Cell volume | 1652.72 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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 |
2020086.cif 2020086.hkl |
| 153455 | 2015-08-16 | cif/ hkl/ Adding structures of 2020086, 2020087 via cif-deposit CGI script. |
2020086.cif 2020086.hkl |
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Users of the data should acknowledge the original authors of the
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