Information card for entry 4081176

Structure parameters

• Formula: C30 H33 Cl2 N5 O11 Ru S3
• Calculated formula: C30 H33 Cl2 N5 O11 Ru S3
• SMILES: C1(=C[n+]2c(C1(c1ccccn1)O)cccc2)[Ru]123([n]4ccccc4c4cccc[n]14)[S]1CC[S]2CC[S]3CC1.CN(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Isolation of Ruthenium‒Indolizine Complexes: Insight into the Metal-Induced Cycloisomerization of Propargylic Pyridines
• Authors of publication: Chung, Lai-Hon; Wong, Chun-Yuen
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3583
• a: 10.3611 ± 0.0006 Å
• b: 13.6283 ± 0.0006 Å
• c: 13.9333 ± 0.0007 Å
• α: 88.104 ± 0.004°
• β: 68.385 ± 0.005°
• γ: 74.149 ± 0.004°
• Cell volume: 1754.52 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No