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Information card for entry 4002954
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Coordinates | 4002954.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DD115 |
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Chemical name | di(4-aminopyridine)tetrabromomercurate |
Formula | C10 H16 Br4 Hg N4 O |
Calculated formula | C10 H16 Br4 Hg N4 O |
SMILES | c1c(cc[nH+]c1)N.O.Br[Hg](Br)([Br-])[Br-].c1c(cc[nH+]c1)N |
Title of publication | Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission |
Authors of publication | Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 2983 |
a | 6.7934 ± 0.0007 Å |
b | 13.8808 ± 0.0015 Å |
c | 18.685 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1762 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0238 |
Residual factor for significantly intense reflections | 0.0172 |
Weighted residual factors for significantly intense reflections | 0.0322 |
Weighted residual factors for all reflections included in the refinement | 0.0338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/4002954.html
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