Information card for entry 4311971

Structure parameters

• Formula: C71 H96 Cl2 N O7 P2 V
• Calculated formula: C71 H96 Cl2 N O7 P2 V
• Title of publication: Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)
• Authors of publication: Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7324 - 7338
• a: 14.5723 ± 0.0009 Å
• b: 15.9764 ± 0.0012 Å
• c: 18.0224 ± 0.0014 Å
• α: 83.66 ± 0.02°
• β: 73.39 ± 0.02°
• γ: 65.61 ± 0.02°
• Cell volume: 3661.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections: 0.2571
• Weighted residual factors for significantly intense reflections: 0.2341
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No