Information card for entry 1551623

Structure parameters

• Formula: C32 H58 N2 O20 S2 V4
• Calculated formula: C32 H58 N2 O20 S2 V4
• SMILES: C1[OH][V]234(=O)[O]([V]56(=O)OS(=O)(=O)O[V]78([O]5c5c(cc(cc5C[OH]7)C)C[O]36)([O]3Cc5c(c1cc(c5)C)[O]2[V]3(=O)(OS(=O)(=O)O4)[O]8C)=O)C.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Synthesis and Crystal Structures of Dinuclear Dioxidovanadium(V) and Tetranuclear Oxidovanadium(IV) Complexes with 2,6-Bis(hydroxymethyl)-4-methylphenol
• Authors of publication: MIKURIYA, Masahiro; FUKUTANI, Masami; YOSHIOKA, Daisuke
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 33
• a: 10.731 ± 0.014 Å
• b: 11.373 ± 0.015 Å
• c: 11.558 ± 0.015 Å
• α: 104.28 ± 0.03°
• β: 112.76 ± 0.02°
• γ: 108.23 ± 0.02°
• Cell volume: 1121 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No