Information card for entry 7029174

Structure parameters

• Chemical name: trifluoro-(bis(diphenylphosphino)methane dioxide)-oxidoniobium(V)
• Formula: C25 H22 F3 Nb O3 P2
• Calculated formula: C25 H22 F3 Nb O3 P2
• SMILES: [Nb]1(F)(F)(F)([O]=P(c2ccccc2)(c2ccccc2)CP(=[O]1)(c1ccccc1)c1ccccc1)=O
• 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: 13.154 ± 0.008 Å
• b: 10.967 ± 0.006 Å
• c: 17.248 ± 0.01 Å
• α: 90°
• β: 97.173 ± 0.019°
• γ: 90°
• Cell volume: 2469 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No