Information card for entry 7213939

Structure parameters

• Formula: C36 H50 As8 N24 Ni2 O49 V14
• Calculated formula: C36 H36 As8 N24 Ni2 O49 V14
• SMILES: c12[nH]cc[n]2[Ni]23([n]4cc[nH]c4c4[n]2cc[nH]4)([n]2cc[nH]c12)[n]1cc[nH]c1c1[n]3cc[nH]1.[O]12[As]3[O]4[V]56([O]7[V]84(=O)[O]4[V]9%10(=O)[O]%11[As]7O[As]7[O]%12[V]%13%14(=O)[O]%15[V]%16%17(=O)[O]%18[V]%19%20(=O)[O]([As](O3)[O]5[V]%15%18(=O)[O]67)[V]32(=O)[O]2[V]51(=O)[O]8[V]14(=O)[O]9[As]4[O]6[V]7(=O)([O]8[V]96([O]([V]2(=O)([O]9[As]([O]%16%19)O[As]8[O]%14%17)[O]%203)[As](O4)[O]51)=O)[O]%13[V]%11%12(=O)[O]%107)=O.O.O.O.c1c[nH]c2c3[n](cc[nH]3)[Ni]34([n]12)([n]1cc[nH]c1c1[n]3cc[nH]1)[n]1cc[nH]c1c1[n]4cc[nH]1.O.O.O.O
• Title of publication: The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters
• Authors of publication: Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2251
• a: 15.118 ± 0.002 Å
• b: 15.118 ± 0.002 Å
• c: 38.962 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8905 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No