Information card for entry 4072458

Structure parameters

• Formula: C39 H52 Hf
• Calculated formula: C39 H52 Hf
• Title of publication: Diffuse Diffraction from Parallel/Antiparallel Metallocene Pillars
• Authors of publication: Irwin, Levi J.; Zeits, Paul D.; Reibenspies, Joseph H.; Miller, Stephen A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1129
• a: 29.775 ± 0.005 Å
• b: 15.007 ± 0.002 Å
• c: 7.3342 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3277.2 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No