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Information card for entry 4500960
Preview
Coordinates | 4500960.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H8 Cl2 F4 Hg2 O2 |
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Calculated formula | C10 H8 Cl2 F4 Hg2 O2 |
SMILES | [Hg](Cl)c1c([Hg]Cl)c(F)c(F)c(F)c1F.O=C(OCC)C |
Title of publication | Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters |
Authors of publication | Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 3964 |
a | 7.2 ± 0.004 Å |
b | 10.03 ± 0.005 Å |
c | 11.485 ± 0.006 Å |
α | 69.285 ± 0.007° |
β | 88.979 ± 0.008° |
γ | 72.307 ± 0.007° |
Cell volume | 735.3 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0416 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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