Information card for entry 4060133

Structure parameters

• Formula: C33 H27 F10 N4 P Zr
• Calculated formula: C33 H27 F10 N4 P Zr
• Authors of publication: Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 9.9455 ± 0.0014 Å
• b: 12.7251 ± 0.0015 Å
• c: 12.9468 ± 0.0014 Å
• α: 97.448 ± 0.004°
• β: 102.867 ± 0.007°
• γ: 90.501 ± 0.008°
• Cell volume: 1582.7 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0318
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.545
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No