Information card for entry 4078766

Structure parameters

• Formula: C23 H39 N2 O3.5 P Ru
• Calculated formula: C23 H39 N2 O3.5 P Ru
• Title of publication: Role of a Noninnocent Pincer Ligand in the Activation of CO2at (PNN)Ru(H)(CO)
• Authors of publication: Huff, Chelsea A.; Kampf, Jeff W.; Sanford, Melanie S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4643
• a: 8.0443 ± 0.0001 Å
• b: 10.6437 ± 0.0002 Å
• c: 14.8659 ± 0.001 Å
• α: 97.741 ± 0.007°
• β: 91.333 ± 0.006°
• γ: 97.375 ± 0.007°
• Cell volume: 1249.74 ± 0.09 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No