Information card for entry 7712023

Structure parameters

• Formula: C29 H30 F12 N8 P2 Ru
• Calculated formula: C29 H30 F12 N8 P2 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ru]1([N]#CC)([N]#CC)([N]#CC)([n]2c(N3C=1N(Cc1ccccc1)c1c3cccc1)cccc2)[N]#CC.[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Cyclometalated Ru(II)-NHC complexes with phenanthroline ligands induce apoptosis mediated by mitochondria and endoplasmic reticulum stress in cancer cells.
• Authors of publication: Chen, Chao; Lv, He; Xu, Hao; Zhu, Dancheng; Shen, Chao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1671 - 1679
• a: 10.494 ± 0.007 Å
• b: 15.943 ± 0.01 Å
• c: 22.151 ± 0.015 Å
• α: 90°
• β: 92.845 ± 0.012°
• γ: 90°
• Cell volume: 3701 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No