Information card for entry 7012193

Structure parameters

• Formula: C47 H74 B2 Cl2 N12 O4 W2
• Calculated formula: C47 H74 B2 Cl2 N12 O4 W2
• Title of publication: Mono- and di-nuclear tris(pyrazolyl)borato-oxo-tungsten(V) complexes with phenolate ligands: syntheses and structures, and magnetic, electrochemical and UV/Vis/NIR spectroscopic properties
• Authors of publication: Keira M. Stobie; Zöe R. Bell; Thomas W. Munhoven; John P. Maher; Jon A. McCleverty; Michael D. Ward; Eric J. L. McInnes; Federico Totti; Dante Gatteschi
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 36 - 45
• a: 11.819 ± 0.003 Å
• b: 20.631 ± 0.005 Å
• c: 25.873 ± 0.01 Å
• α: 90°
• β: 99.77 ± 0.02°
• γ: 90°
• Cell volume: 6217 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No