Information card for entry 4340720

Structure parameters

• Formula: C68 H59 F12 N13 O14 S4 V2
• Calculated formula: C68 H62 F12 N13 O14 S4 V2
• 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: 14.8802 ± 0.0005 Å
• b: 22.0171 ± 0.0007 Å
• c: 21.9728 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7198.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0557
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No