Information card for entry 4306694

Structure parameters

• Formula: C33 H42 N O4 V
• Calculated formula: C33 H42 N O4 V
• SMILES: [V]123(Oc4c(C[N]3(Cc3cccc(c3O1)C(C)(C)C)Cc1cccc(c1O2)C(C)(C)C)cccc4C(C)(C)C)=O
• Title of publication: C3 Vanadium(V) Amine Triphenolate Complexes: Vanadium Haloperoxidase Structural and Functional Models
• Authors of publication: Miriam Mba; Marta Pontini; Silvia Lovat; Cristiano Zonta; Gerald Bernardinelli; Peter E. Kündig; Giulia Licini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8616 - 8618
• a: 8.8248 ± 0.0006 Å
• b: 9.8319 ± 0.0007 Å
• c: 17.6222 ± 0.0012 Å
• α: 93.345 ± 0.008°
• β: 90.242 ± 0.008°
• γ: 92.825 ± 0.008°
• Cell volume: 1524.48 ± 0.18 ų
• Cell temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No