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Information card for entry 7115827
Preview
Coordinates | 7115827.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H25 B10 F0 P0 Rh S2 |
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Calculated formula | C12 H25 B10 Rh S2 |
SMILES | [Rh]12345(S[B]6789[B]%10%11%12(S1)[BH]1%13%14[BH]%157%10[BH]7%106[BH]6%168[BH]89%12[BH]9%111[BH]168[CH]6%10%16[BH]%13%157[CH]%14916)[c]1([c]3([c]4([c]2(C)[c]51C)C)C)C |
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 | 11.7502 ± 0.0018 Å |
b | 12.94 ± 0.002 Å |
c | 26.299 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3998.7 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0401 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7115827.html
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Users of the data should acknowledge the original authors of the
structural data.