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Information card for entry 4080578
Preview
Coordinates | 4080578.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H30 B18 Co2 S4 |
---|---|
Calculated formula | C14 H30 B18 Co2 S4 |
SMILES | [B]12345[B]678([BH]9%10%11[CH]%12%13[CH]%14%15[BH]%163([BH]279[BH]%10%12%15%16)[BH]24%14[BH]16([H]2)[BH]8%11%13)[S]1[Co]23467([cH]8[cH]2[cH]4[cH]6[cH]38)[S]5[Co]23456([cH]8[cH]2[cH]3[cH]4[cH]58)[S]1[BH]1234[BH]589([BH]%10%11%12[BH]%1325[BH]251[BH]1%144[BH]38([H]1)[BH]9%11[CH]1%10[CH]2%14[BH]%12%1351)[S]76 |
Title of publication | Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters |
Authors of publication | Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 2014 |
a | 20.566 ± 0.003 Å |
b | 9.9052 ± 0.0013 Å |
c | 13.655 ± 0.0017 Å |
α | 90° |
β | 91.974 ± 0.002° |
γ | 90° |
Cell volume | 2780 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0729 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.155 |
Weighted residual factors for all reflections included in the refinement | 0.1612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/4080578.html
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Users of the data should acknowledge the original authors of the
structural data.