Information card for entry 4109952

Structure parameters

• Formula: C56.5 H58 N2 O3 Ru
• Calculated formula: C56.5 H58 N2 O3 Ru
• Title of publication: Intramolecular Trapping of an Intermediate in the Reduction of Imines by a Hydroxycyclopentadienyl Ruthenium Hydride: Support for a Concerted Outer Sphere Mechanism
• Authors of publication: Charles P. Casey; Timothy B. Clark; Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11821 - 11827
• a: 12.0791 ± 0.001 Å
• b: 13.6712 ± 0.0012 Å
• c: 28.205 ± 0.002 Å
• α: 90°
• β: 98.959 ± 0.002°
• γ: 90°
• Cell volume: 4600.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No