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Information card for entry 7037700
Preview
Coordinates | 7037700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H54 Cu2 Mo6 N8 O38 Te |
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Calculated formula | C30 H54 Cu2 Mo6 N8 O38 Te |
SMILES | [O]12[Mo]34(=O)(=O)[O]5[Te]6781[O]1[Mo]9(=[O][Cu]([n]%10ccc(cc%10)C(=O)NCCCNC(=O)c%10cc[nH+]cc%10)([OH2])([OH2])[OH2])(=O)(O[Mo]21(=O)(O4)=O)O[Mo]1([O]7[Mo]2(=O)(O[Mo]5(=[O][Cu]([n]4ccc(cc4)C(=O)NCCCNC(=O)c4cc[nH+]cc4)([OH2])([OH2])[OH2])(=O)([O]62)O3)(O1)=O)(=O)(=O)[O]89.O.O.O.O |
Title of publication | Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by different species and their coordination modes: assembly, various architectures and properties. |
Authors of publication | Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Tian, Aixiang; Liu, Guocheng; Wang, Xiang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 6 |
Pages of publication | 2709 - 2719 |
a | 16.673 ± 0.0012 Å |
b | 10.591 ± 0.0008 Å |
c | 18.712 ± 0.0012 Å |
α | 90° |
β | 122.106 ± 0.001° |
γ | 90° |
Cell volume | 2798.9 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0309 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0652 |
Weighted residual factors for all reflections included in the refinement | 0.0674 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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