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Information card for entry 4332428
Preview
Coordinates | 4332428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H42 Hg N4 Na2 O5 S13 |
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Calculated formula | C38 H30 Hg N4 Na2 O5 S13 |
SMILES | C12=C(S[Hg]3(S1)SC1SC(SC=1S3)=C1c3c(c4c1cccn4)nccc3)SC(=C1c3c(nccc3)c3ncccc13)S2.O(=S(C)C).[Na+].O=S(C)C.[Na+].O=S(C)C.O=S(C)C.O=S(C)C |
Title of publication | Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units |
Authors of publication | Baudron, Stéphane A.; Hosseini, Mir Wais |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 5260 - 5262 |
a | 25.4856 ± 0.0008 Å |
b | 14.2965 ± 0.0004 Å |
c | 17.7647 ± 0.001 Å |
α | 90° |
β | 129.564 ± 0.001° |
γ | 90° |
Cell volume | 4989.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.048 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4332428.html
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