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Information card for entry 7044821
Preview
Coordinates | 7044821.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H36 Co2 Mo8 N22 O40 |
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Calculated formula | C58 H36 Co2 Mo8 N22 O40 |
SMILES | c1[n]2c(C3Nc4cccc(c4)NC4=[O][Co]567([n]8c(C(Nc9cccc(NC%10c%11c[nH]c[n]%11[Co]%112([n]2c(C(Nc%12cccc(NC(c%13c[nH]c[n]5%13)=[O]7)c%12)=[O]%11)c[nH]c2)([O]=3)[O]=%10)c9)=[O]6)c[nH]c8)[n]2c[nH]cc42)c[nH]1.C(=O)(C)N(C)C.O=[Mo]12([O]3[Mo]4(=O)(=O)([O]56[Mo]789(O[Mo]%10%11(=O)([O]2[Mo]235(O[Mo]6(O4)(=O)([O]9[Mo]3(=O)([O]7[Mo](=O)(=O)([O]8%102)(O%11)O3)(=O)=O)=O)=O)=O)=O)O1)(=O)=O.O=C(C)N(C)C.O.C(=O)(C)N(C)C.O=C(C)N(C)C.O |
Title of publication | Various Polyoxomolybdate-based Hybrids Induced by pH and Solvents: Structures, Adsorption Activities for Dyes and Bifunctional Electrocatalytic Properties |
Authors of publication | Wang, Xiuli; Zhang, Shan; Wang, Xiang; Liu, Guo Cheng; Lin, Hongyan; Zhang, Huixiu |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
a | 18.1219 ± 0.0011 Å |
b | 17.2253 ± 0.0011 Å |
c | 27.7704 ± 0.0016 Å |
α | 90° |
β | 98.74 ± 0.002° |
γ | 90° |
Cell volume | 8568 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0866 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203405 (current) | 2017-11-21 | cif/ Adding structures of 7044819, 7044820, 7044821, 7044822 via cif-deposit CGI script. |
7044821.cif |
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