Information card for entry 4346092

Structure parameters

• Formula: C8 H13.91 K2 O17.95 V2
• Calculated formula: C8 H6 K2 O17.955 V2
• Title of publication: Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.
• Authors of publication: Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4011 - 4020
• a: 8.4341 ± 0.0013 Å
• b: 17.311 ± 0.003 Å
• c: 25.14 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3670.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No