Information card for entry 7712026

Structure parameters

• Formula: C47 H37 F12 N7 P2 Ru
• Calculated formula: C47 H37 F12 N7 P2 Ru
• SMILES: [Ru]12([N]#CC)([n]3ccc(c4c3c3[n]2ccc(c3cc4)c2ccccc2)c2ccccc2)([n]2c(N3C=1N(c1c3cccc1)Cc1ccccc1)cccc2)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 11.1717 ± 0.0006 Å
• b: 12.5812 ± 0.0007 Å
• c: 18.4997 ± 0.0006 Å
• α: 101.742 ± 0.004°
• β: 93.676 ± 0.003°
• γ: 103.871 ± 0.005°
• Cell volume: 2454 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No