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Information card for entry 1519684
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| Coordinates | 1519684.cif |
|---|
| Formula | C12 H33 B18 N Ni |
|---|---|
| Calculated formula | C12 B18 N Ni |
| SMILES | [Ni]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1039[BH]395[BH]54%12[BH]4%13%14[BH]%121%15[BH]%11%103[BH]954%12)[CH]134[CH]592[BH]2%104[BH]4%113[BH]361[BH]168[BH]875[BH]59%10[BH]72%11[BH]431[BH]6857.N(C)(C)c1ccccc1 |
| 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 | 9.476 ± 0.002 Å |
| b | 13.16 ± 0.002 Å |
| c | 18.389 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2293.2 ± 0.8 Å3 |
| Ambient diffraction temperature | 128 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| 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 |
|---|---|---|---|
| 136668 (current) | 2015-05-17 | cif/ Adding structures of 1519684 via cif-deposit CGI script. |
1519684.cif |
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