Information card for entry 7058727

Structure parameters

• Formula: C28 H56 N8 O33 V10
• Calculated formula: C28 H56 N8 O33 V10
• Title of publication: One-dimensional supramolecular chain based on [H2V10O28]4- units decorated with 4-dimethylaminopyridinium ions: An experimental and theoretical characterization
• Authors of publication: Gonzalez-Vergara, Enrique; Sánchez-Lara, Eduardo; Martínez-Valencia, Beatriz; Corona-Motolinia, Nidia D.; Sánchez-Gaytán, Brenda L.; Castro, María Eugenia; Bernès, Sylvain; Mendez-Rojas, Miguel; Meléndez Bustamante, Francisco
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17746 - 17755
• a: 10.93249 ± 0.00009 Å
• b: 9.91005 ± 0.00011 Å
• c: 24.12328 ± 0.00019 Å
• α: 90°
• β: 90.3898 ± 0.0008°
• γ: 90°
• Cell volume: 2613.49 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No