Information card for entry 4069406

Structure parameters

• Formula: C19 H21 N O Ru
• Calculated formula: C19 H21 N O Ru
• SMILES: [Ru]12345678([CH]9=[CH]1[CH]2=[CH]3[C@@]14[C@]29[C@H](CC1)N(C)C(=O)C\2=C/C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Synthesis of Polycyclic Cyclohexadienyl Ruthenium(II) Complexes from η6-Arene Precursors via Phosphine-Promoted Intramolecular Nucleophilic Aromatic Addition
• Authors of publication: Pigge, F. Christopher; Dhanya, R.; Swenson, Dale C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3869
• a: 7.9074 ± 0.0009 Å
• b: 8.156 ± 0.0009 Å
• c: 24.107 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.7 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No