Information card for entry 7004738

Structure parameters

• Common name: Dioxotris(triphenylphosphine oxide-O)vanadium(V) dichlorodioxovanadate
• Chemical name: Dioxotris(triphenylphosphine oxide-O)vanadium(V) dichlorodioxovanadate
• Formula: C54 H45 Cl2 O7 P3 V2
• Calculated formula: C54 H45 Cl2 O7 P3 V2
• SMILES: [V]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=O)=O.[V](Cl)(Cl)(=O)=O
• Title of publication: Synthesis, chemistry and structures of complexes of the dioxovanadium(v) halides VO2F and VO2Cl
• Authors of publication: Davis, Martin F.; Jura, Marek; Leung, Alethea; Levason, William; Littlefield, Benjamin; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6265 - 6273
• a: 12.431 ± 0.004 Å
• b: 14.08 ± 0.004 Å
• c: 14.558 ± 0.004 Å
• α: 94.45 ± 0.02°
• β: 94.367 ± 0.015°
• γ: 97.27 ± 0.02°
• Cell volume: 2510.4 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No