Information card for entry 4335544

Structure parameters

• Formula: C16 H18 K2 N4 O12 V2
• Calculated formula: C16 H18 K2 N4 O12 V2
• SMILES: c12ccccc1C=[N]1N=C(O[V]1(O2)(=O)=O)C(O[V]1(O2)(=O)=O)=N[N]1=Cc1c2cccc1.O.O.O.O.[K+].[K+]
• 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: 8.9859 ± 0.0004 Å
• b: 7.2879 ± 0.0004 Å
• c: 17.9664 ± 0.0007 Å
• α: 90°
• β: 91.315 ± 0.002°
• γ: 90°
• Cell volume: 1176.28 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No