Information card for entry 7715254

Structure parameters

• Formula: C208 H212 K0.3 N8 O48 V8
• Calculated formula: C196 H188 K0.296 N2 O48 V8
• Title of publication: Reaction of Ph₂C(X)(CO₂H) (X = OH, NH₂) with [VO(OR)₃] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.
• Authors of publication: Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5351 - 5355
• a: 21.3446 ± 0.0003 Å
• b: 19.264 ± 0.0002 Å
• c: 25.4589 ± 0.0003 Å
• α: 90°
• β: 111.179 ± 0.0014°
• γ: 90°
• Cell volume: 9761.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No