Information card for entry 4076172

Structure parameters

• Formula: C13 H17 N O3
• Calculated formula: C13 H16 N O3
• Title of publication: Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex
• Authors of publication: Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5424
• a: 14.7669 ± 0.0005 Å
• b: 6.7673 ± 0.0002 Å
• c: 12.9333 ± 0.0004 Å
• α: 90°
• β: 106.888 ± 0.002°
• γ: 90°
• Cell volume: 1236.71 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.14
• Residual factor for significantly intense reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.2871
• Weighted residual factors for all reflections included in the refinement: 0.3008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No