Information card for entry 4105665

Structure parameters

• Common name: (THF)V(tpaMes)
• Formula: C46 H53 N4 O V
• Calculated formula: C46 H53 N4 O V
• SMILES: [V]123([O]4CCCC4)n4c(C[N]1(Cc1n3c(c3c(C)cc(cc3C)C)cc1)Cc1n2c(c2c(cc(C)cc2C)C)cc1)ccc4c1c(cc(cc1C)C)C
• Title of publication: A Structurally Characterized Nitrous Oxide Complex of Vanadium
• Authors of publication: Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2108 - 2111
• a: 10.91 ± 0.007 Å
• b: 11.252 ± 0.007 Å
• c: 16.024 ± 0.01 Å
• α: 90°
• β: 93.368 ± 0.01°
• γ: 90°
• Cell volume: 1964 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No