Information card for entry 4060127

Structure parameters

• Formula: C53.85 H53.55 Cl0.15 N4 P2 Ti
• Calculated formula: C53.85 H53.55 Cl0.15 N4 P2 Ti
• 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: 20.36 ± 0.003 Å
• b: 20.087 ± 0.002 Å
• c: 22.375 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9151 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 2.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No