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Information card for entry 7115830
Preview
Coordinates | 7115830.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H41 B9 F0 N2 O P Rh2 S2 |
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Calculated formula | C32 H42 B9 O2 P Rh2 S2 |
SMILES | [BH]1234[BH]567[BH]89%10[B]%11%12%13([BH]%14%15[BH]%161([BH]126[B]259%11[B]%12%14%161[S]1[Rh]569%11%12([c]%14([c]%11([c]9([c]6([c]5%14C)C)C)C)C)[Rh]1(C#[O])([O]%13C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]2%12)[CH]4%15[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 | 10.6217 ± 0.0015 Å |
b | 22.947 ± 0.003 Å |
c | 15.445 ± 0.002 Å |
α | 90° |
β | 101.289 ± 0.002° |
γ | 90° |
Cell volume | 3691.7 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0838 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.1842 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
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.