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Information card for entry 2229269
Preview
Coordinates | 2229269.cif |
---|---|
Structure factors | 2229269.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate |
---|---|
Formula | C24 H60 N20 O50 Si W12 |
Calculated formula | C24 H60 N20 O50 Si W12 |
SMILES | [W]1234(=O)O[W]567(=O)O[W]89(O1)(=O)O[W]1%10%11(O[W]%12%13(O6)(O[W]6%14(O5)(O[W]5%15(O2)(=O)O[W]2%16(O3)(O[W]3(O8)(O1)(=O)O[W]18(O2)(O[W]2(O5)(O6)(=O)O[W](O%12)(O%10)(=O)(O1)[O]%11%13[Si]([O]479)([O]%14%152)[O]%1638)=O)=O)=O)=O)=O.O1CC[NH+](Cc2nn[nH]n2)CC1.O1CC[NH+](Cc2nn[nH]n2)CC1.O1CC[NH+](Cc2nn[nH]n2)CC1.O1CC[NH+](Cc2nn[nH]n2)CC1.O.O.O.O.O.O |
Title of publication | Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate |
Authors of publication | Yousefi, Mohammad; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Gholizadeh, Ahmad; Nikpour, Mohsen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | m271 - m272 |
a | 12.4512 ± 0.0005 Å |
b | 13.1805 ± 0.0005 Å |
c | 13.4065 ± 0.0006 Å |
α | 93.856 ± 0.001° |
β | 116.331 ± 0.001° |
γ | 116.45 ± 0.001° |
Cell volume | 1666.58 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0603 |
Weighted residual factors for all reflections included in the refinement | 0.0616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/2229269.html
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