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Information card for entry 7205075
Preview
Coordinates | 7205075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H35 Cu3 Mo5 N18 O25 P2 |
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Calculated formula | C36 H35 Cu3 Mo5 N18 O25 P2 |
SMILES | O.c1c[nH]c2[n]1[Cu]1(O[Mo]345(OP6(=O)[O]7[Mo]89([O]%10[Mo]%11(O8)(O[Mo]([O]3P%10(O[Mo]7(=O)(=O)(O9)O5)=[O][Cu]3([n]5c7c8[n]3cccc8ccc7ccc5)O)([O]6%11)(=O)(O4)=O)(=O)=O)(O[Cu]34([n]5c([nH]cc5)c5[n]3cc[nH]5)[n]3cc[nH]c3c3[nH]cc[n]43)=O)=O)([n]3c2[nH]cc3)[n]2c(c3[nH]cc[n]13)[nH]cc2 |
Title of publication | Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties |
Authors of publication | Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 585 |
a | 11.8981 ± 0.0005 Å |
b | 18.8195 ± 0.0007 Å |
c | 12.6 ± 0.0005 Å |
α | 90° |
β | 105.865 ± 0.001° |
γ | 90° |
Cell volume | 2713.88 ± 0.19 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0851 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205075.html
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