Information card for entry 4085858

Structure parameters

• Formula: C55 H83 Cl6 N4 O14 Ru3 S12
• Calculated formula: C55 H83 Cl6 N4 O14 Ru3 S12
• Title of publication: Isolation of Ruthenium‒Indoline and −Indole Zwitterion Complexes: Insight into the Metal-Induced Cyclization of Aniline-Tethered Alkynes and Strategy to Lower the Activation Barrier of Metal−Vinylidene Formation
• Authors of publication: Yeung, Chi-Fung; Chung, Lai-Hon; Lo, Hoi-Shing; Chiu, Chun-Hong; Cai, Jialin; Wong, Chun-Yuen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1963
• a: 13.0624 ± 0.0004 Å
• b: 17.4265 ± 0.0006 Å
• c: 18.2398 ± 0.0006 Å
• α: 111.9 ± 0.003°
• β: 103.013 ± 0.003°
• γ: 98.662 ± 0.003°
• Cell volume: 3624.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No