Information card for entry 7048949

Structure parameters

• Formula: C35 H44 Cl Ir N2 O3 S
• Calculated formula: C35 H44 Cl Ir N2 O3 S
• Title of publication: Zwitterionic and cationic half-sandwich iridium(iii) ruthenium(ii) complexes bearing sulfonate groups: synthesis, characterization and their different biological activities.
• Authors of publication: Yang, Yanjing; Ge, Xingxing; Guo, Lihua; Zhu, Teng; Tian, Zhenzhen; Zhang, Hairong; Du, Qing; Peng, Hongwei; Ma, Wenli; Liu, Zhe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3193 - 3197
• a: 13.6458 ± 0.0012 Å
• b: 17.4382 ± 0.0015 Å
• c: 14.3952 ± 0.0014 Å
• α: 90°
• β: 105.352 ± 0.003°
• γ: 90°
• Cell volume: 3303.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No