Information card for entry 4083701

Structure parameters

• Formula: C25 H34 Cl2 N2 O9 Ru S4
• Calculated formula: C25 H34 Cl2 N2 O9 Ru S4
• SMILES: C1(=C[n+]2c3c(ccc2C1(C)O)cccc3)[Ru]123([N]#CC)[S]4CCC[S]1CC[S]2CCC[S]3CC4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal‒Indolizine Zwitterion Complexes as a New Class of Organometallic Material: a Spectroscopic and Theoretical Investigation
• Authors of publication: Chung, Lai-Hon; Yeung, Chi-Fung; Ma, Dik-Lung; Leung, Chung-Hang; Wong, Chun-Yuen
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140618160703009
• a: 16.5466 ± 0.0005 Å
• b: 8.4227 ± 0.0003 Å
• c: 23.8578 ± 0.0007 Å
• α: 90°
• β: 99.529 ± 0.003°
• γ: 90°
• Cell volume: 3279.11 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No