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Information card for entry 7000400
Preview
| Coordinates | 7000400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H24 B18 Co N |
|---|---|
| Calculated formula | C6 H24 B18 Co N |
| SMILES | [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[B]294([BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)[N]#CC)[CH]123[CH]495[BH]5%103[BH]3%112[BH]261[BH]168[BH]874[BH]49%10[BH]75%11[BH]321[BH]6847 |
| Title of publication | Boron(8) substituted nitrilium and ammonium derivatives, versatile cobalt bis(1,2-dicarbollide) building blocks for synthetic purposes |
| Authors of publication | Šícha, Václav; Plešek, Jaromír; Kvíčalová, Magdalena; Císařová, Ivana; Grüner, Bohumír |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 5 |
| Pages of publication | 851 - 860 |
| a | 22.0598 ± 0.0001 Å |
| b | 7.0999 ± 0.0002 Å |
| c | 11.5587 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1810.35 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179682 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/04. |
7000400.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000400.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000400.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000400.cif |
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Users of the data should acknowledge the original authors of the
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