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Information card for entry 1519683
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| Coordinates | 1519683.cif |
|---|
| Formula | C20 H32 B18 Ni |
|---|---|
| Calculated formula | C20 B18 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.c12cccc3c2c2c(cc1)cccc2cc3 |
| 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 | 6.967 ± 0.001 Å |
| b | 14.804 ± 0.002 Å |
| c | 26.2 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2702.3 ± 0.7 Å3 |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 136667 (current) | 2015-05-17 | cif/ Adding structures of 1519683 via cif-deposit CGI script. |
1519683.cif |
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