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Information card for entry 2212527
Preview
Coordinates | 2212527.cif |
---|---|
Structure factors | 2212527.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(dimethylammonium) hydrogen a-dodecamolybdosilicate |
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Formula | C6 H24 Mo12 N3 O40 Si |
Calculated formula | C6 H24 Mo12 N3 O40 Si |
SMILES | C[NH2+]C.[O]123[Mo]456(=O)O[Mo]782(=O)O[Mo]23(=O)(O5)O[Mo]359([O]%10%11[Si]%121[O]1%13[Mo]%14%15(O4)(O[Mo]%11(O5)(O6)(=O)O[Mo]4%10(O[Mo]51(O%15)(=O)O[Mo]16([O]%10%12[Mo](O7)(O[Mo]%13(O%14)(O8)(=O)O5)(=O)(O[Mo]%10(O3)(O2)(=O)O6)O1)(O4)=O)(O9)=O)=O)=O.C[NH2+]C.C[NH2+]C |
Title of publication | Tris(dimethylammonium) hydrogen α-dodecamolybdosilicate |
Authors of publication | Zong-Jun Ku; Zhong-Hai Zhang; Ke-Li Zhang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 3 |
Pages of publication | m878 - m880 |
a | 16.4365 ± 0.0008 Å |
b | 16.4365 ± 0.0008 Å |
c | 25.142 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5882.3 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.341 |
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/2212527.html
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Users of the data should acknowledge the original authors of the
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