Information card for entry 4076175

Structure parameters

• Formula: C19 H23 N O3 Ru
• Calculated formula: C19 H23 N O3 Ru
• SMILES: [Ru]12345678(C9C%10([CH]4=[CH]3[C]2(=[CH]19)OC)/C(=C(\OC)C)C(=O)N(C%10)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 12.8409 ± 0.0002 Å
• b: 12.3144 ± 0.0002 Å
• c: 11.4854 ± 0.0002 Å
• α: 90°
• β: 112.367 ± 0.001°
• γ: 90°
• Cell volume: 1679.52 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No