Information card for entry 7057691

Structure parameters

• Formula: C72 H60 Co2 Mo16 N12 Na2 O58
• Calculated formula: C72 H60 Co2 Mo16 N12 Na2 O58
• SMILES: [Mo]12([O]3[Mo]456(=[O][Na]7([OH2][Na]8([OH2]7)[O]=[Mo]79%10([O]%11[Mo]%12(O[Mo]%13%14(O[Mo]%11(=[O]8)(O7)(=O)[O]%13[Mo]7([O]%10[Mo]8(O9)([O]%12[Mo](O8)(O[Mo](O%14)(=O)=O)(O7)(=O)=O)(=O)=O)=O)(=O)=O)=O)=O)[O]=[Mo]73(=O)(O4)O[Mo]34([O]7[Mo]7([O]6[Mo](O5)(=O)(O1)(=O)O[Mo](O[Mo]([O]23)(O4)(O7)(=O)=O)(=O)=O)=O)(=O)=O)=O)=O.O.[Co]123([n]4cccc5ccc6c([n]1ccc6)c45)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c(ccc1)ccc1ccc[n]3c21.O.O.[Co]123([n]4cccc5ccc6c([n]1ccc6)c45)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c(ccc1)ccc1ccc[n]3c21.O
• Title of publication: Synthesis and proton conductivity of two novel molybdate polymers
• Authors of publication: Xu, Li; Wang, Zhifang; Lu, Ying; Yan, Tingting; Tian, Hongrui; Li, Xiaohui; Wang, Shuang; Sun, Xiuwei; Zhang, Zhong; Dang, Tianyi; Liu, Shuxia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 16516
• a: 11.184 ± 0.005 Å
• b: 14.349 ± 0.005 Å
• c: 16.169 ± 0.005 Å
• α: 89.715 ± 0.005°
• β: 88.414 ± 0.005°
• γ: 74.499 ± 0.005°
• Cell volume: 2499.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No