Information card for entry 4106404

Structure parameters

• Formula: C39 H74 N2 P2 Si Ti
• Calculated formula: C39 H74 N2 P2 Si Ti
• Title of publication: Room Temperature Dehydrogenation of Ethane to Ethylene
• Authors of publication: Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10700 - 10703
• a: 11.422 ± 0.005 Å
• b: 31.628 ± 0.014 Å
• c: 12.113 ± 0.005 Å
• α: 90°
• β: 95.339 ± 0.01°
• γ: 90°
• Cell volume: 4357 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.1707
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9579
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No