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Information card for entry 4509308
Preview
Coordinates | 4509308.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 Br Cl2 Mo12 N6 O41 P |
---|---|
Calculated formula | C36 H28 Br Cl2 Mo12 N6 O41 P |
SMILES | [Mo]1234([O]56[Mo]78(=O)(O[Mo]9%10%11([O]%12%13[Mo]%14(=O)(O1)(O%11)O[Mo]1%12(O9)(=O)O[Mo]9%11%12([O]%15%16[Mo]%17(=O)(O[Mo]5(O[Mo]5%18([O]%19([Mo](=O)(O[Mo]%19(=O)(O%18)(O3)O%14)(O5)(O%11)O1)=P6%13%16)(=O)O%17)(O8)(O4)=O)(O9)O[Mo]%15(=O)(O%10)(O7)O%12)=O)=O)O2)=O.c1cc(cc[nH+]1)c1ccc(cn1)Cl.c1cc(cc[nH+]1)c1ccc(cn1)Cl.c1cc(cc[nH+]1)c1ccc(cn1)c1ccc(cc1)Br.O |
Title of publication | Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation |
Authors of publication | Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 1225 |
a | 20.106 ± 0.003 Å |
b | 15.735 ± 0.002 Å |
c | 19.951 ± 0.003 Å |
α | 90° |
β | 100.513 ± 0.002° |
γ | 90° |
Cell volume | 6205.9 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0462 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4509308.html
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