Information card for entry 7227154

Structure parameters

• Formula: C60 H62 N12 O34 V10 Zn2
• Calculated formula: C60 H48 N12 O34 V10 Zn2
• SMILES: c1[n]2c(ccc1)c1[n](cccc1)[Zn]132([n]2ccccc2c2[n]3cccc2)[n]2c(c3cccc[n]13)cccc2.O=[V]1234[O]5678[V]9%10%11(O2)O[V]2%12%13(=O)O[V]%14%15%16([O]%10[V]%107(O1)(=O)O[V]15(=O)(O[V]56([O]9[V]67(=O)([O]9%112%15[V](O%14)(=O)(O%12)(O6)O[V]89(O1)([O]%16%10)[O]57)O%13)(O3)=O)O4)=O.O.O.O.c1[n]2c(ccc1)c1[n](cccc1)[Zn]132([n]2ccccc2c2[n]3cccc2)[n]2c(c3cccc[n]13)cccc2.O.O.O
• Title of publication: Preparation, structure and characterization of a series of vanadates
• Authors of publication: Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 265
• a: 22.904 ± 0.003 Å
• b: 13.0032 ± 0.0012 Å
• c: 25.754 ± 0.002 Å
• α: 90°
• β: 95.05 ± 0.002°
• γ: 90°
• Cell volume: 7640.4 ± 1.4 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: 0.0874
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No