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Information card for entry 4326117
Preview
Coordinates | 4326117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As12 Cl Cu P4 S12 |
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Calculated formula | As12 Cl Cu P4 S12 |
SMILES | [P]12(S[As]3[As](S1)[As]3S2)[Cu]([P]12S[As]3[As](S1)[As]3S2)([P]12S[As]3[As](S1)[As]3S2)[P]12S[As]3[As](S1)[As]3S2.[Cl-] |
Title of publication | PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers |
Authors of publication | Patrick Schwarz; Joachim Wachter; Manfred Zabel |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8477 - 8483 |
a | 13.314 ± 0.0002 Å |
b | 13.314 ± 0.0002 Å |
c | 21.1719 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3250.18 ± 0.12 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4326117.html
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