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Information card for entry 7019266
Preview
| Coordinates | 7019266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H36 B18 Co N O |
|---|---|
| Calculated formula | C9 H36 B18 Co N O |
| SMILES | [Co]12345678([CH]9%10%11[C]%12%132([BH]2%141[BH]1%15%12[BH]%129%13[BH]9%13%11[BH]%117%10[BH]78%14[BH]821[BH]9%117[BH]%15%12%138)CCO)[CH]127[CH]895[BH]5%103[BH]3%114[BH]462[BH]261[BH]134[BH]3%10%11[BH]485[BH]792[BH]6134.[NH+](C)(C)C |
| Title of publication | Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes. |
| Authors of publication | Grüner, Bohumír; Svec, Petr; Sícha, Václav; Padělková, Zdeňka |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 25 |
| Pages of publication | 7498 - 7512 |
| a | 11.907 ± 0.002 Å |
| b | 12.982 ± 0.003 Å |
| c | 15.032 ± 0.005 Å |
| α | 90° |
| β | 94.268 ± 0.019° |
| γ | 90° |
| Cell volume | 2317.2 ± 1 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179896 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/92. |
7019266.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019266.cif |
| 62826 | 2012-07-09 | cif/ Adding structures of 7019266, 7019267, 7019268 via cif-deposit CGI script. |
7019266.cif |
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Users of the data should acknowledge the original authors of the
structural data.