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Information card for entry 1549473
Preview
Coordinates | 1549473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C79 H83 B2 Cl4 K N O6 |
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Calculated formula | C79 H83 B2 Cl4 K N O6 |
SMILES | Cc1cc(c(c(c1)C)[B]1([N]#C[B](c2cccc3c2C2c4c1cccc4C3c1c2cccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C.ClCCl.ClCCl.[K]12345[O]6CC[O]3CC[O]2c2c([O]1CC[O]4CC[O]5c3c6cccc3)cccc2 |
Title of publication | Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide. |
Authors of publication | Chen, Chang-Hong; Gabbaï, François P |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 29 |
Pages of publication | 6210 - 6218 |
a | 21.407 ± 0.003 Å |
b | 13.6932 ± 0.0018 Å |
c | 23.988 ± 0.003 Å |
α | 90° |
β | 92.4764 ± 0.0014° |
γ | 90° |
Cell volume | 7025 ± 1.6 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549473.html
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