Information card for entry 7029168

Structure parameters

• Chemical name: trifluorooxidobis(triphenylphosphineoxide)niobium(V)
• Formula: C36 H30 F3 Nb O3 P2
• Calculated formula: C36 H30 F3 Nb O3 P2
• Title of publication: Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.
• Authors of publication: Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3649 - 3659
• a: 18.762 ± 0.009 Å
• b: 33.289 ± 0.014 Å
• c: 10.152 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6341 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No