Information card for entry 7012197

Structure parameters

• Formula: C15 H22 B Cl2 N6 O W
• Calculated formula: C15 H22 B Cl2 N6 O W
• 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: 8.008 ± 0.002 Å
• b: 13.97 ± 0.004 Å
• c: 8.963 ± 0.002 Å
• α: 90 ± 0.02°
• β: 100.19 ± 0.02°
• γ: 90 ± 0.018°
• Cell volume: 986.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No