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Information card for entry 7713295
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Coordinates | 7713295.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Triscarborane_26dimethylphenylsiocyanide adduct |
---|---|
Formula | C15 H42 B31 N |
Calculated formula | C15 H42 B31 N |
SMILES | [B]([C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%1458[BH]58%13[BH]%13%15%11[BH]%119%12[BH]37%10[CH]4%15%11[BH]15%13[BH]26%148)([C]1234[BH]567[BH]89%10[BH]%11%125[BH]5%138[BH]8%149[BH]9%155[BH]51([BH]289[BH]36%10%14)[BH]%11%13%15[CH]47%125)([C]1234[BH]567[BH]89%10[BH]%1115[BH]158[BH]8%129[BH]96%10[BH]627[BH]273[BH]18([BH]%12962)[CH]4%1157)C#[N]c1c(cccc1C)C |
Title of publication | Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage. |
Authors of publication | Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
a | 11.0762 ± 0.0005 Å |
b | 12.7163 ± 0.0005 Å |
c | 12.9783 ± 0.0005 Å |
α | 87.269 ± 0.002° |
β | 66.922 ± 0.002° |
γ | 78.596 ± 0.002° |
Cell volume | 1647.58 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713295.html
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structural data.