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Information card for entry 7115831
Preview
Coordinates | 7115831.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H55 B9 P2 Rh2 S2 |
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Calculated formula | C48 H55 B9 P2 Rh2 S2 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12([BH]%13%14[BH]%152([BH]216[B]159%11[B]%12%13%152[S]2[Rh]569%11%12([c]%13([c]5([c]6([c]9([c]%11%13C)C)C)C)C)[Rh]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1%12)[CH]4%14[CH]37%10)[H]8 |
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 | 10.4232 ± 0.0013 Å |
b | 22.0424 ± 0.0019 Å |
c | 25.4131 ± 0.0017 Å |
α | 90° |
β | 91.218 ± 0.003° |
γ | 90° |
Cell volume | 5837.4 ± 1 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0592 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1359 |
Weighted residual factors for all reflections included in the refinement | 0.1367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.