Information card for entry 4301460

Structure parameters

• Formula: C100 H155 Cl10 N6 O9.5 V4
• Calculated formula: C100 H151 Cl10 N6 O9.5 V4
• Title of publication: A Magneto-Structural Study of a Hexanuclear (VIV=O)6-Complex and a Tetranuclear Mixed-Valent [VIII2VIV2] Species
• Authors of publication: Biplab Biswas; Thomas Weyhermüller; Eckhard Bill; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1524 - 1532
• a: 15.0798 ± 0.0009 Å
• b: 20.4731 ± 0.0013 Å
• c: 22.2124 ± 0.0014 Å
• α: 113.412 ± 0.003°
• β: 96.194 ± 0.002°
• γ: 103.904 ± 0.003°
• Cell volume: 5947.3 ± 0.7 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: 0.1307
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No