Information card for entry 4311970

Structure parameters

• Formula: C74.5 H99.75 N3.25 O6 P2 V
• Calculated formula: C74.5 H99 N3.25 O6 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: 17.3782 ± 0.0008 Å
• b: 20.5903 ± 0.0008 Å
• c: 22.8046 ± 0.001 Å
• α: 75.47 ± 0.01°
• β: 70.57 ± 0.01°
• γ: 74.3 ± 0.01°
• Cell volume: 7290.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No