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Information card for entry 1552305
Preview
Coordinates | 1552305.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C180 H289 B3 Cl4 Cu47 F12 O22 P2 V2 |
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Calculated formula | C180 H253.235 B3 Cl4 Cu47 F12 O22 P2 V2 |
Title of publication | Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors |
Authors of publication | Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 19.9192 ± 0.0017 Å |
b | 20.0207 ± 0.0017 Å |
c | 32.564 ± 0.003 Å |
α | 90.482 ± 0.002° |
β | 101.813 ± 0.002° |
γ | 116.372 ± 0.002° |
Cell volume | 11315.2 ± 1.7 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0934 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1683 |
Weighted residual factors for all reflections included in the refinement | 0.192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/1552305.html
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