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Information card for entry 2230713
Preview
Coordinates | 2230713.cif |
---|---|
Structure factors | 2230713.hkl |
Original IUCr paper | HTML |
Chemical name | Hexakis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(perchlorate) |
---|---|
Formula | C60 H60 Cl2 Mn N12 O8 |
Calculated formula | C60 H60 Cl2 Mn N12 O8 |
SMILES | c1[n](ccn1Cc1ccccc1)[Mn]([n]1cn(cc1)Cc1ccccc1)([n]1cn(cc1)Cc1ccccc1)([n]1cn(cc1)Cc1ccccc1)([n]1cn(cc1)Cc1ccccc1)[n]1cn(cc1)Cc1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Hexakis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(perchlorate) |
Authors of publication | Dong, Gui-Ying; Liu, Tong-Fei; He, Cui-Hong; Deng, Xiao-Chen; Shi, Xiao-Ge |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m960 |
a | 9.2832 ± 0.0019 Å |
b | 12.744 ± 0.003 Å |
c | 13.317 ± 0.003 Å |
α | 84.55 ± 0.03° |
β | 79.56 ± 0.03° |
γ | 75.87 ± 0.03° |
Cell volume | 1500.4 ± 0.6 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.091 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.16 |
Weighted residual factors for all reflections included in the refinement | 0.1875 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.835 |
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/2230713.html
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Users of the data should acknowledge the original authors of the
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