Information card for entry 7703996

Structure parameters

• Formula: C27 H27 Cl Ir N O3
• Calculated formula: C27 H27 Cl Ir N O3
• SMILES: [Ir]12345(Cl)([N](=Cc6c(O1)cccc6)c1cc6oc(=O)cc(c6cc1)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Fluorescent iridium(iii) coumarin-salicylaldehyde Schiff base compounds as lysosome-targeted antitumor agents.
• Authors of publication: Liu, Cong; Liu, Xicheng; Ge, Xingxing; Wang, Qinghui; Zhang, Lei; Shang, Wenjing; Zhang, Yue; Yuan, Xiang Ai; Tian, Laijin; Liu, Zhe; You, Jinmao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5988 - 5998
• a: 8.2136 ± 0.0008 Å
• b: 9.9605 ± 0.0009 Å
• c: 15.7811 ± 0.0012 Å
• α: 76.15 ± 0.002°
• β: 79.874 ± 0.003°
• γ: 71.854 ± 0.001°
• Cell volume: 1184 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No