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Information card for entry 7029340
Preview
Coordinates | 7029340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H46 B20 Ir P S |
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Calculated formula | C26 H46 B20 Ir P S |
SMILES | [Ir]1234([S]=P([C]5678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%185([BH]5%197[BH]769[BH]6%10%13[BH]9%12%16[BH]%15%185[BH]%19769)[C]18%11%14%17)(c1ccccc1)c1ccccc1)[C]1(C([C]4(=[C]3([C]2=1C)C)C)(C)[C]1234[BH]567[BH]893[BH]3%102[BH]2%111[BH]1%12%13[BH]%146([BH]658[BH]59%10[BH]321[BH]%12%1465)[CH]47%11%13)C |
Title of publication | Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center. |
Authors of publication | Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 13 |
Pages of publication | 4938 - 4940 |
a | 11.244 ± 0.004 Å |
b | 11.832 ± 0.004 Å |
c | 15.257 ± 0.005 Å |
α | 72.87 ± 0.004° |
β | 71.415 ± 0.004° |
γ | 86.425 ± 0.004° |
Cell volume | 1837.5 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0861 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/7029340.html
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Users of the data should acknowledge the original authors of the
structural data.