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Information card for entry 7049686
Preview
Coordinates | 7049686.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H72 Au Cl4 F6 I2 N6 P |
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Calculated formula | C54 H72 Au Cl4 F6 I2 N6 P |
Title of publication | 4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding. |
Authors of publication | Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 20 |
Pages of publication | 6931 - 6941 |
a | 12.9962 ± 0.001 Å |
b | 13.0259 ± 0.0011 Å |
c | 21.456 ± 0.0017 Å |
α | 80.363 ± 0.003° |
β | 78.157 ± 0.003° |
γ | 62.129 ± 0.002° |
Cell volume | 3131.8 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.02 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0607 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/7049686.html
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