Information card for entry 7712024

Structure parameters

• Formula: C35 H29 F12 N7 P2 Ru
• Calculated formula: C35 H29 F12 N7 P2 Ru
• SMILES: [Ru]12([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c(N3C=2N(Cc2ccccc2)c2c3cccc2)cccc1)([N]#CC)[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: 17.9763 ± 0.0009 Å
• b: 11.8371 ± 0.0006 Å
• c: 18.6576 ± 0.0012 Å
• α: 90°
• β: 107.175 ± 0.006°
• γ: 90°
• Cell volume: 3793.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No