Information card for entry 7225236

Structure parameters

• Formula: C12 H62 N12 Ni2 O48 Sb6 V15
• Calculated formula: C12 H42 N12 Ni2 O48 Sb6 V15
• SMILES: C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[O]=[V]123[O]4[V]56(=O)[O]1[V]17(=O)[O]2[V]28(=O)[O]9[V]%10%11(=O)[O]%12[V]%139(=O)[O]2[V]29(=O)[O]%14[V]%15%16(=O)[O]%17[V]%14(=O)([O]12)[O]7[Sb]1O[Sb]%17[O]2[V]7(=O)([O]5[V]5%14(=O)[O]%17[Sb]4O[Sb]([O]%11[V]4%17(=O)[O]%10[V]%10(=O)([O]%11[V]%17(=O)([O]%15[V]2(=O)([O]7%14)[O]%10%17)[O]%16[Sb](O[Sb]%12%11)[O]%139)[O]54)[O]38)[O]61.[Ni]123([NH2]CC[N]3)([NH2]CC[N]1)[NH2]CC[N]2.O.O.O.O.O.O
• Title of publication: Vanadoantimonates: from discrete clusters to high dimensional aggregates
• Authors of publication: Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5130
• a: 12.4887 ± 0.0007 Å
• b: 12.4887 ± 0.0007 Å
• c: 39.986 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5401 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No