Information card for entry 7029170

Structure parameters

• Chemical name: trichloro(ethane-1,2-diylbis(diphenylphosphane) dioxide)oxidoniobium(V) acetonitrile solvate
• Formula: C27 H25.5 Cl3 N0.5 Nb O3 P2
• Calculated formula: C27 H25.5 Cl3 N0.5 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: 10.752 ± 0.002 Å
• b: 14.367 ± 0.003 Å
• c: 18.048 ± 0.004 Å
• α: 90°
• β: 92.519 ± 0.008°
• γ: 90°
• Cell volume: 2785.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No