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Information card for entry 4083230
Preview
Coordinates | 4083230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H30 B10 Co N O4 S3 |
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Calculated formula | C24 H30 B10 Co N O4 S3 |
SMILES | O=S(=O)(N1[S]2[Co]3456(S[C]789%10[C]%11%12%132[BH]2%147[BH]7%158[BH]8%169[BH]9%10%11[BH]%10%11%12[BH]%12%132[BH]2%147[BH]7%158[BH]%169%10[BH]%11%1227)([cH]2[cH]3[cH]4[cH]5[cH]62)C(=C1c1ccccc1)C(=O)OC)c1ccc(C)cc1 |
Title of publication | Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R) |
Authors of publication | Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 18 |
Pages of publication | 6658 |
a | 13.96 ± 0.003 Å |
b | 14.946 ± 0.003 Å |
c | 18.549 ± 0.003 Å |
α | 90° |
β | 126.299 ± 0.01° |
γ | 90° |
Cell volume | 3119.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0654 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4083230.html
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Users of the data should acknowledge the original authors of the
structural data.