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Information card for entry 4080575
Preview
Coordinates | 4080575.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H12 B10 S3 |
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Calculated formula | C2 H12 B10 S3 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[B]%14%158([B]859(S)[BH]527[BH]273[BH]%12%14([B]%15852S)[CH]4%137[CH]16%10%11)S |
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 | 14.146 ± 0.009 Å |
b | 11.768 ± 0.007 Å |
c | 7.447 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1239.7 ± 1.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0854 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
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/4080575.html
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