Information card for entry 4340721

Structure parameters

• Formula: C37 H34 F6 N8 O6 S2 V
• Calculated formula: C37 H34 F6 N8 O6 S2 V
• Title of publication: A Well-Defined Terminal Vanadium(III) Oxo Complex.
• Authors of publication: King, Amanda E.; Nippe, Michael; Atanasov, Mihail; Chantarojsiri, Teera; Wray, Curtis A.; Bill, Eckhard; Neese, Frank; Long, Jeffrey R.; Chang, Christopher J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11388 - 11395
• a: 12.5042 ± 0.0007 Å
• b: 15.842 ± 0.0009 Å
• c: 20.147 ± 0.001 Å
• α: 90°
• β: 90.8446 ± 0.0009°
• γ: 90°
• Cell volume: 3990.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No