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Information card for entry 7019267
Preview
| Coordinates | 7019267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H49 B18 Co N2 O2 |
|---|---|
| Calculated formula | C11 H39 B18 Co N O2 |
| SMILES | [NH+](C)(C)C.[Co]12345678([C]9%10%11([CH]%12%131[BH]1%14%15[BH]%162%12[BH]2%121[BH]1%17%18[BH]%199([BH]%1421[BH]%11%13%15%19)[BH]5%10%17[BH]7%16%12%18)CCO)[CH]125[BH]79%10[C]%1131([BH]134[BH]4%128[BH]8%13%14[BH]27([BH]6548)[BH]2%10%14[BH]9%111[BH]3%12%132)CCO |
| 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 | 14.237 ± 0.0009 Å |
| b | 13.782 ± 0.0007 Å |
| c | 13.679 ± 0.001 Å |
| α | 90° |
| β | 93.537 ± 0.007° |
| γ | 90° |
| Cell volume | 2678.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1654 |
| Weighted residual factors for all reflections included in the refinement | 0.1755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7019267.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019267.cif |
| 62826 | 2012-07-09 | cif/ Adding structures of 7019266, 7019267, 7019268 via cif-deposit CGI script. |
7019267.cif |
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Users of the data should acknowledge the original authors of the
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