Information card for entry 4060130

Structure parameters

• Formula: C52 H48 Cl2 N4 P2 Zr
• Calculated formula: C52 H48 Cl2 N4 P2 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: 10.265 ± 0.003 Å
• b: 21.493 ± 0.004 Å
• c: 20.721 ± 0.004 Å
• α: 90°
• β: 93.02 ± 0.01°
• γ: 90°
• Cell volume: 4565.2 ± 1.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.696
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No