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Information card for entry 1519682
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| Coordinates | 1519682.cif |
|---|
| Formula | C14 H30 B18 Ni |
|---|---|
| Calculated formula | C15 B17 Ni |
| SMILES | [Ni]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1039[BH]39%11[BH]%111%15[BH]1%13%14[BH]%137%12[BH]8%103[BH]9%111%13)[CH]137[CH]892[BH]2%105[BH]5%118[BH]879[BH]793[BH]341[BH]162[BH]273[BH]%1051[BH]%11892.c1cccc2ccccc12 |
| Title of publication | Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound |
| Authors of publication | Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 721 - 730 |
| a | 9.825 ± 0.007 Å |
| b | 13.257 ± 0.01 Å |
| c | 18.114 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2359 ± 3 Å3 |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 136666 (current) | 2015-05-17 | cif/ Adding structures of 1519682 via cif-deposit CGI script. |
1519682.cif |
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