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Information card for entry 7115826
Preview
Coordinates | 7115826.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H51 B9 Cl O P Rh2 S2 |
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Calculated formula | C37 H51 B9 Cl O P Rh2 S2 |
SMILES | [BH]1234[BH]567[BH]89[BH]%10%11%12[BH]%13%14[BH]%152([BH]216[B]159%11[B]%12%14%152[S]2[Rh]569%11%12([c]%14([c]%11([c]9([c]6([c]5%14C)C)C)C)C)[Cl][Rh]%102(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1%12)[CH]4%13[CH]378.C1CCCCC1 |
Title of publication | Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate |
Authors of publication | Xiaolei Zhang; Zhiwen Zhou; Hong Yan |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13077 |
a | 11.8553 ± 0.0008 Å |
b | 22.2136 ± 0.0015 Å |
c | 17.9969 ± 0.0012 Å |
α | 90° |
β | 93.097 ± 0.002° |
γ | 90° |
Cell volume | 4732.5 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7115826.html
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Users of the data should acknowledge the original authors of the
structural data.