Information card for entry 7043013

Structure parameters

• Formula: C34 H30 As B F6 Fe P2
• Calculated formula: C34 H30 As B F6 Fe P2
• SMILES: [As](F)(F)(F)([F-])(F)F.[BH2]1[P]([c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts
• Authors of publication: Hill, Anthony; Ward, Jas S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.3352 ± 0.0002 Å
• b: 10.6422 ± 0.0002 Å
• c: 15.0052 ± 0.0004 Å
• α: 74.012 ± 0.002°
• β: 85.306 ± 0.002°
• γ: 89.5144 ± 0.0019°
• Cell volume: 1581.08 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9615
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No