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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 |
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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 |
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The link is: https://www.crystallography.net/7110564.html
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