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Information card for entry 2205684
Preview
Coordinates | 2205684.cif |
---|---|
Structure factors | 2205684.hkl |
Original IUCr paper | HTML |
Chemical name | {1,8-Bis[2-(1-benzyl-1H-imidazol-3-ylmethyl-κC^2^)phenoxy]-3,6-dioxaoctane- κ^2^O^3^,O^6^}mercury(II) bis(hexaflourophosphate) nitromethane solvate |
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Formula | C41 H45 F12 Hg N5 O6 P2 |
Calculated formula | C41 H45 F12 Hg N5 O6 P2 |
SMILES | [Hg]123[O](CCOc4c(CN5C=2N(C=C5)Cc2ccccc2)cccc4)CC[O]1CCOc1ccccc1CN1C=3N(C=C1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CN(=O)=O |
Title of publication | {1,8-Bis[2-(1-benzyl-1<i>H</i>-imidazol-3-ylmethyl-κ<i>C</i>^2^)phenoxy]-3,6-dioxaoctane-κ^2^<i>O</i>^3^,<i>O</i>^6^}mercury(II) bis(hexaflourophosphate) nitromethane solvate |
Authors of publication | Da-Bin Qin; Hai-Bin Song; Feng-Bo Xu; Qing-Shang Li; Zheng-Zhi Zhang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 5 |
Pages of publication | m826 - m827 |
a | 10.729 ± 0.003 Å |
b | 12.116 ± 0.003 Å |
c | 19.552 ± 0.006 Å |
α | 89.721 ± 0.005° |
β | 85.328 ± 0.006° |
γ | 66.677 ± 0.004° |
Cell volume | 2325.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.101 |
Weighted residual factors for all reflections included in the refinement | 0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2205684.html
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