Information card for entry 4105277

Structure parameters

• Formula: C43.5 H32.25 B Br0.25 F15 Fe P Zr
• Calculated formula: C43.5 H31 B Br0.25 F15 Fe P Zr
• Title of publication: Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment
• Authors of publication: Alberto Ramos; Edwin Otten; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15610 - 15611
• a: 12.7013 ± 0.0006 Å
• b: 15.4895 ± 0.0008 Å
• c: 22.0666 ± 0.0011 Å
• α: 110.254 ± 0.002°
• β: 97.413 ± 0.002°
• γ: 91.311 ± 0.002°
• Cell volume: 4028.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No