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Information card for entry 2015354
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Coordinates | 2015354.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetrachloromercurate |
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Formula | C13 H32 Cl4 Hg N6 |
Calculated formula | C13 H32 Cl4 Hg N6 |
SMILES | [Hg](Cl)(Cl)([Cl-])[Cl-].[NH+](CCC[NH+]=C(N(C)C)N(C)C)=C(N(C)C)N(C)C |
Title of publication | The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes |
Authors of publication | Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | m234 - m237 |
a | 8.3199 ± 0.0004 Å |
b | 18.0809 ± 0.0009 Å |
c | 15.8086 ± 0.0008 Å |
α | 90° |
β | 104.291 ± 0.001° |
γ | 90° |
Cell volume | 2304.5 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0843 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/2015354.html
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