Information card for entry 7710715

Structure parameters

• Formula: C22 H25 Cl3 N O4 Rh S
• Calculated formula: C22 H25 Cl3 N O4 Rh S
• SMILES: [Rh]1(Cl)(Cl)(Cl)([OH]C)[O]=c2oc3c(cc2c2sc4c([n]12)cccc4)cccc3C(C)(C)C.OC
• Title of publication: Cell nucleus localization and high anticancer activity of quinoline-benzopyran rhodium(III) metal complexes as therapeutic and fluorescence imaging agents.
• Authors of publication: Wang, Zhen-Feng; Nai, Xiao-Ling; Xu, Yue; Pan, Feng-Hua; Tang, Fu-Shun; Qin, Qi-Pin; Yang, Lin; Zhang, Shu-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 11.8588 ± 0.0008 Å
• b: 13.4613 ± 0.0012 Å
• c: 15.8363 ± 0.0008 Å
• α: 80.727 ± 0.006°
• β: 87.74 ± 0.005°
• γ: 80.679 ± 0.006°
• Cell volume: 2461.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No