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Information card for entry 1508423
Preview
| Coordinates | 1508423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H27.91 B18 Cl2.09 Co S8 |
|---|---|
| Calculated formula | C14 H27.907 B18 Cl2.093 Co S8 |
| SMILES | [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[B]294(Cl)[BH]%163%12[BH]3%13%14[BH]41%15[BH]%11%102[BH]9%1634)[CH]123[CH]495[BH]5%103[BH]3%112[BH]261[B]168(Cl)[BH]874[BH]495[BH]5%10%11[BH]321[BH]6845.S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCCS2 |
| Title of publication | New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities |
| Authors of publication | Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. |
| Journal of publication | Crystals |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | 43 - 55 |
| a | 8.8565 ± 0.0007 Å |
| b | 13.349 ± 0.001 Å |
| c | 14.654 ± 0.001 Å |
| α | 106.617 ± 0.002° |
| β | 102.684 ± 0.002° |
| γ | 98.963 ± 0.002° |
| Cell volume | 1574.7 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508423.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508423.cif |
| 69143 | 2012-12-03 | cif/ Adding structures of 1508423 via cif-deposit CGI script. |
1508423.cif |
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Users of the data should acknowledge the original authors of the
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