Information card for entry 7107149

Structure parameters

• Formula: C58 H108 N8 O23 V6
• Calculated formula: C58 H108 N8 O23 V6
• SMILES: C12(C[O]3[V]456(=O)O[V]789(=O)O[V]%10%113([O]3%1257[V]57(=O)(O4)[O]8CC4(C[O]7[V]3(=O)(O[V]%12([O]6C1)(=O)(O5)[O]%11C2)(O%10)[O]9C4)NC(=O)c1cccnc1)=O)NC(=O)c1cccnc1.C(CCC)[N+](CCCC)(CCCC)CCCC.CN(C)C=O.C(CCC)[N+](CCCC)(CCCC)CCCC.CN(C)C=O
• Title of publication: Coordination-driven self-assembly of polyoxometalates into discrete supramolecular triangles
• Authors of publication: Marie-Pierre Santoni; Amlan K. Pal; Garry S. Hanan; Marie-Christine Tang; Karine Venne; Alexandra Furtos; Pierre Menard-Tremblay; Cedric Malveau; Bernold Hasenknopf
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 200
• a: 13.5535 ± 0.0017 Å
• b: 13.2675 ± 0.0017 Å
• c: 20.489 ± 0.003 Å
• α: 90°
• β: 103.456 ± 0.002°
• γ: 90°
• Cell volume: 3583.2 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No