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Information card for entry 4083225
Preview
Coordinates | 4083225.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H28 B10 Co N O2 S3 |
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Calculated formula | C14 H28 B10 Co N O2 S3 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]13%12%16[C]47%10%13[S]2[Co]3456([cH]7[cH]6[cH]5[cH]4[cH]37)(/C(=C\C(C)(C)C)N2S(=O)(=O)C)S1 |
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 | 14.6451 ± 0.0012 Å |
b | 15.4289 ± 0.0013 Å |
c | 11.2169 ± 0.0009 Å |
α | 90° |
β | 109.45 ± 0.001° |
γ | 90° |
Cell volume | 2389.9 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.0561 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4083225.html
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Users of the data should acknowledge the original authors of the
structural data.