Information card for entry 7044821

Structure parameters

• Formula: C58 H36 Co2 Mo8 N22 O40
• 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 ų
• 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