Information card for entry 7041313

Structure parameters

• Formula: C22 H26 N4 O2
• Calculated formula: C22 H26 N4 O2
• SMILES: c1ccc2c(c3c(c(c2)C(=O)NC2CC(C)(C)N(C(C2)(C)C)O)cccn3)n1
• Title of publication: Theranostic TEMPO-functionalized Ru(ii) complexes as photosensitizers and oxidative stress indicators.
• Authors of publication: Yang, Jing; Cao, Qian; Hu, Wei-Liang; Ye, Rui-Rong; He, Liang; Ji, Liang-Nian; Qin, Peter Z.; Mao, Zong-Wan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 445 - 454
• a: 7.8442 ± 0.0007 Å
• b: 23.492 ± 0.002 Å
• c: 10.7644 ± 0.0012 Å
• α: 90°
• β: 98.014 ± 0.003°
• γ: 90°
• Cell volume: 1964.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No