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Information card for entry 1549472
Preview
Coordinates | 1549472.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H54 B2 N2 |
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Calculated formula | C48 H54 B2 N2 |
SMILES | [NH2]1[NH2][B](c2cccc3c4cccc(c4c23)[B]1(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
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 | 18.849 ± 0.003 Å |
b | 11.5959 ± 0.0016 Å |
c | 20.422 ± 0.003 Å |
α | 90° |
β | 106.914 ± 0.0018° |
γ | 90° |
Cell volume | 4270.6 ± 1.1 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1412 |
Weighted residual factors for all reflections included in the refinement | 0.1471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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