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Information card for entry 7045163
Preview
Coordinates | 7045163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 B2 Cl4 N6 |
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Calculated formula | C32 H38 B2 Cl4 N6 |
SMILES | ClCCl.ClCCl.N12[B]3([N]4=C5N([B]3([N]3=C1N(CCC2)CCC3)C#Cc1ccccc1)CCCN5CCC4)C#Cc1ccccc1 |
Title of publication | Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution. |
Authors of publication | Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 6 |
Pages of publication | 2009 - 2017 |
a | 8.71 ± 0.0017 Å |
b | 12.033 ± 0.002 Å |
c | 19.074 ± 0.004 Å |
α | 93.53 ± 0.03° |
β | 99.26 ± 0.03° |
γ | 110.89 ± 0.03° |
Cell volume | 1827.9 ± 0.8 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1295 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/7045163.html
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