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Information card for entry 7701866
Preview
Coordinates | 7701866.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H14 Cl2 Hg N O2 P S |
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Calculated formula | C6 H14 Cl2 Hg N O2 P S |
Title of publication | The First Coordination Polymers with an [O]2[N]P(S)-Hg Segment: A Combined Experimental, Theoretical and Database Study of Covalent Bonds and Non-covalent Interactions |
Authors of publication | Torabi, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel; Shchegravina, Ekaterina S. |
Journal of publication | Dalton Transactions |
Year of publication | 2019 |
a | 11.6229 ± 0.0004 Å |
b | 17.2516 ± 0.0004 Å |
c | 13.2057 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2647.92 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0812 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.089 |
Weighted residual factors for all reflections included in the refinement | 0.0957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
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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The link is: https://www.crystallography.net/7701866.html
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