Information card for entry 4335543

Structure parameters

• Formula: C16 H18 N4 Na2 O12 V2
• Calculated formula: C16 H18 N4 Na2 O12 V2
• SMILES: c12ccccc1C=[N]1N=C(O[V]1(O2)(=O)=O)C(O[V]1(O2)(=O)=O)=N[N]1=Cc12ccccc1.O.O.O.O.[Na+].[Na+]
• Title of publication: Alkali Metal Directed Assembly of Heterometallic Vv/M (M = Na, K, Cs) Coordination Polymers: Structures, Topological Analysis, and Oxidation Catalytic Properties
• Authors of publication: Samik Gupta; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro; Alexander M. Kirillov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8601 - 8611
• a: 7.8121 ± 0.0004 Å
• b: 8.5243 ± 0.0004 Å
• c: 9.0869 ± 0.0006 Å
• α: 84.285 ± 0.002°
• β: 70.705 ± 0.002°
• γ: 80.472 ± 0.001°
• Cell volume: 562.6 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No