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Information card for entry 1563390
Preview
Coordinates | 1563390.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H50 Mo6 N8 O21 S2 |
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Calculated formula | C38 H50 Mo6 N8 O21 S2 |
SMILES | c12[s+]c3c(ccc(N(C)C)c3)nc1ccc(c2)N(C)C.[O]12345[Mo]6789%10%11%12(O[Mo]%13%14%15%16%1718(O[Mo]18%185%12%17(O%10)(O[Mo]5%10%124%11%18(O7)([Mo]429%14(O%13)(=O)(O6)(O%10)[Mo]3%168%12(O5)(O1)(=O)(O%15)O4)=O)=O)=O)=O.O=CN(C)C.c1(cc2c(cc1)nc1c([s+]2)cc(N(C)C)cc1)N(C)C.N(C=O)(C)C |
Title of publication | Two inorganic‒organic hybrid materials based on polyoxometalate anions and methylene blue: Preparations, crystal structures and properties |
Authors of publication | Nie, Shanshan; Zhang, Yaobin; Liu, Bin; Li, Zuoxi; Hu, Huaiming; Xue, Ganglin; Fu, Feng; Wang, Jiwu |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2010 |
Journal volume | 183 |
Journal issue | 12 |
Pages of publication | 2957 - 2962 |
a | 10.3869 ± 0.0008 Å |
b | 11.6818 ± 0.0009 Å |
c | 12.126 ± 0.001 Å |
α | 90.013 ± 0.001° |
β | 115.107 ± 0.001° |
γ | 100.474 ± 0.001° |
Cell volume | 1305.17 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/1563390.html
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