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Information card for entry 2234282
Preview
Coordinates | 2234282.cif |
---|---|
Structure factors | 2234282.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1<i>H</i>-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate |
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Formula | C26 H38 Cl4 N4 O4 Zn |
Calculated formula | C26 H38 Cl4 N4 O4 Zn |
SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].O(c1ccc2[nH]c3c(c2c1)CC[NH2+]C3C)C.O(c1ccc2[nH]c3c(c2c1)CC[NH2+]C3C)C.O.O |
Title of publication | Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1<i>H</i>-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate |
Authors of publication | Goh, Teik Beng; Mordi, Mohd Nizam; Mansor, Sharif Mahsufi; Rosli, Mohd Mustaqim; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | m464 - m465 |
a | 7.3319 ± 0.0001 Å |
b | 18.5135 ± 0.0003 Å |
c | 22.0578 ± 0.0003 Å |
α | 90° |
β | 91.516 ± 0.001° |
γ | 90° |
Cell volume | 2993.06 ± 0.08 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0712 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/2234282.html
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Users of the data should acknowledge the original authors of the
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