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Information card for entry 7110564
Preview
| Coordinates | 7110564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 7,8-dicarba-nido-undecaborane borenium salt |
|---|---|
| Formula | C28 H98 B20 N16 O P4 |
| Calculated formula | C28 H98 B20 N16 O P4 |
| SMILES | O(B(N=P(N(C)C)(N(C)C)N(C)C)N[P+](N(C)C)(N(C)C)N(C)C)B(N=P(N(C)C)(N(C)C)N(C)C)N[P+](N(C)C)(N(C)C)N(C)C.[BH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[CH]46[CH]78[BH]91[BH]1%102[H][BH]%11341.[BH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[CH]46[CH]78[BH]591[BH]1%102[H]5[BH]%11341 |
| Title of publication | Deboronation of ortho-carborane by an iminophosphorane: crystal structures of the novel carborane adduct nido-C2B10H12·HNP(NMe2)3 and the borenium salt [(Me2N)3PNHBNP(NMe2)3]2O2+(C2B9H12−)2 |
| Authors of publication | Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Neretin, Ivan S.; Wade, Kenneth |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 17 |
| Pages of publication | 1649 |
| a | 14.105 ± 0.003 Å |
| b | 16.529 ± 0.003 Å |
| c | 25.563 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5960 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2453 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180219 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05. |
7110564.cif |
| 95401 | 2014-01-28 | cif/ Adding structures of 7110562, 7110563, 7110564 via cif-deposit CGI script. |
7110564.cif |
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