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Information card for entry 1559587
Preview
Coordinates | 1559587.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H60 Au B N2 O |
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Calculated formula | C54 H60 Au B N2 O |
SMILES | [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)OB(c1c(cccc1)C)c1c(cccc1)C |
Title of publication | Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. |
Authors of publication | Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 917 - 928 |
a | 18.4407 ± 0.0004 Å |
b | 23.6412 ± 0.0005 Å |
c | 21.238 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9258.9 ± 0.4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0482 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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