Information card for entry 7119520

Structure parameters

• Formula: C74 H92 Mo3 N12 O15 V4
• Calculated formula: C74 H92 Mo3 N12 O15 V4
• SMILES: [Mo]1234(N(c5ccccc5)[Mo]567([O]3[Mo]3(O[V](O5)(O[V](O[V](O4)(O6)=O)(O[V](O2)(O3)=O)=O)=O)(N7c2ccccc2)(N1c1ccccc1)=Nc1ccccc1)=Nc1ccccc1)=Nc1ccccc1.[NH+](=C(Nc1ccccc1)NC1CCCCC1)C1CCCCC1.[NH+](=C(Nc1ccccc1)NC1CCCCC1)C1CCCCC1.O
• Title of publication: [V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.
• Authors of publication: Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 2551 - 2554
• a: 12.4632 ± 0.0004 Å
• b: 14.0872 ± 0.0004 Å
• c: 26.255 ± 0.0008 Å
• α: 104.468 ± 0.002°
• β: 96.532 ± 0.002°
• γ: 104.992 ± 0.003°
• Cell volume: 4232.4 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No