Information card for entry 4060132

Structure parameters

• Formula: C39.7 H34.1 Cl0.3 F10 N4 P Zr
• Calculated formula: C39.7 H34.1 Cl0.3 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: 15.0737 ± 0.0013 Å
• b: 11.8652 ± 0.001 Å
• c: 21.633 ± 0.002 Å
• α: 90°
• β: 101.416 ± 0.005°
• γ: 90°
• Cell volume: 3792.6 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 2.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No