Information card for entry 7057256

Structure parameters

• Formula: C32 H116 N24 Na O82 P2 V12 W16
• Calculated formula: C32 H112 N24 Na O82 P2 V12 W16
• SMILES: [W]1234([O]5[W]678([O]9[V]%10%11%12(O[W]%13%14%15([O]%16[W]%17%18%19(O[V]%20%21(=O)(O[W]%22%23%24(=O)[O]%18[V]%18%25%26%16([O]%22[W](=O)(O%10)(O[V](O6)(O1)(O%23)=O)([O]%24=P1([O]4%20[W]46([O]%10[W]%16([O]%11[Na]%11%209([O]7%16[V]795%10([O]24)[NH2]CC[NH]7CC[NH2]9)[O]2[W]457([O]9%20[W]%10%16%20([O]%11[V]%11%222(O[W]2%23%24([O]%27[W]%28%29%30(O[V]%31%32%33(=O)O[W]%34%35%36(=O)[O]%29[V]%29%37%38%27([O]%34[W]%27(=O)(O%11)(O[V](O%10)(O[W]%10%11([O]%16[V]%16%34%399([O]4[W]([O]%10%16)(=O)([O]%32%11P(=[O]%23%30)([O]5%20%22)[O]%36%27)(O[V](=O)(O%28)(O2)O7)O%33)[NH2]CC[NH]%34CC[NH2]%39)(=O)O%31)(O%35)=O)[O]%24%29)[NH2]CC[NH]%37CC[NH2]%38)=O)=O)=O)=O)=O)(=O)([O]8%121)O[V](=O)(O%17)(O%13)O6)(=O)O%21)[O]%14%19)[O]%15%18)[NH2]CC[NH]%25CC[NH2]%26)O3)=O)=O)=O)=O)=O.O.O.C(C[NH2+]CC[NH3+])[NH3+].C(C[NH3+])[NH2+]CC[NH3+].C(C[NH2+]CC[NH3+])[NH3+].C(C[NH3+])[NH2+]CC[NH3+]
• Title of publication: A new redox-based and stepwise synthetic strategy lead to an unprecedented mixed-valence Keggin-type tungstovanadophosphate (WVI/VIV) bi-capped by vanadium(VIII)-complexes
• Authors of publication: Chen, Wu-Hua; Lai, Yu-Zhen; Hu, Zhi-Biao; Liu, Jin-Xian; Guo, Xiang-Guang; Yuan, Qiu-Lan; Zhao, Jin-Hua; Mi, Jin-Xiao; Luo, Jiang-Shui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8738
• a: 21.8135 ± 0.0005 Å
• b: 13.0499 ± 0.0003 Å
• c: 37.5978 ± 0.0007 Å
• α: 90°
• β: 94.728 ± 0.002°
• γ: 90°
• Cell volume: 10666.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No