Information card for entry 7104222

Structure parameters

• Formula: C66 H49 B F15 Fe P
• Calculated formula: C66 H49 B F15 Fe P
• Title of publication: Activation of H2 by frustrated Lewis pairs derived from mono- and bis-phosphinoferrocenes and B(C6F5)3.
• Authors of publication: Ramos, Alberto; Lough, Alan J; Stephan, Douglas W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1118 - 1120
• a: 11.983 ± 0.0002 Å
• b: 21.941 ± 0.0004 Å
• c: 22.804 ± 0.0004 Å
• α: 71.322 ± 0.0011°
• β: 84.467 ± 0.0011°
• γ: 80.923 ± 0.001°
• Cell volume: 5601.96 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No