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Information card for entry 4077168
Preview
| Coordinates | 4077168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H61 B10 K O8 |
|---|---|
| Calculated formula | C30 H61 B10 K O8 |
| SMILES | [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.[CH]123[C]45(Cc6ccccc6C1)[BH]16[BH]789[H][BH2]9%102[BH]289[BH]8%11[BH]41([BH]678)[BH]15[BH]3%102[BH]9%111.O1CCCC1 |
| Title of publication | Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes |
| Authors of publication | Zi, Guofu; Li, Hung-Wing; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2002 |
| Journal volume | 21 |
| Journal issue | 24 |
| Pages of publication | 5415 |
| a | 26.977 ± 0.002 Å |
| b | 12.8293 ± 0.001 Å |
| c | 11.6629 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4036.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1706 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.1917 |
| Weighted residual factors for all reflections included in the refinement | 0.2548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178660 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/71. |
4077168.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077168.cif |
| 54188 | 2012-04-21 | cif/ Adding structures of 4077157, 4077158, 4077159, 4077160, 4077161, 4077162, 4077163, 4077164, 4077165, 4077166, 4077167, 4077168 via cif-deposit CGI script. |
4077168.cif |
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Users of the data should acknowledge the original authors of the
structural data.