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Information card for entry 4083223
Preview
Coordinates | 4083223.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H20 B10 Co N O S2 |
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Calculated formula | C14 H20 B10 Co N O S2 |
SMILES | [Co]123456([S](N=C(O2)c2ccccc2)[C]2789[C]%10%11%12(S1)[BH]1%13%14[BH]%15%16%17[BH]%187([BH]7%198[BH]82%10[BH]2%12%13[BH]%10%198[BH]%16%187[BH]%14%172%10)[BH]9%111%15)[cH]1[cH]4[cH]3[cH]6[cH]51 |
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 | 11.2355 ± 0.0011 Å |
b | 10.3427 ± 0.001 Å |
c | 18.2138 ± 0.0018 Å |
α | 90° |
β | 97.37 ± 0.001° |
γ | 90° |
Cell volume | 2099.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1024 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4083223.html
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Users of the data should acknowledge the original authors of the
structural data.