Information card for entry 4072107

Structure parameters

• Formula: C40 H49 F12 N5 O2 P2 Ru
• Calculated formula: C40 H49 F12 N5 O2 P2 Ru
• Title of publication: Ruthenium Carbene and Allenylidene Complexes Supported by the Tertiary Amine−Aromatic Diimine Ligand Set: Structural, Spectroscopic, and Theoretical Studies
• Authors of publication: Wong, Chun-Yuen; Lai, Lo-Ming; Lam, Chi-Yeung; Zhu, Nianyong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5806
• a: 10.664 ± 0.002 Å
• b: 13.418 ± 0.003 Å
• c: 16.109 ± 0.003 Å
• α: 96.96 ± 0.03°
• β: 93.22 ± 0.03°
• γ: 99.66 ± 0.03°
• Cell volume: 2248.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No