Information card for entry 1572003

Structure parameters

• Formula: C72 H100 B2 F8 N12 O4 Pt
• Calculated formula: C72 H100 B2 F8 N12 O4 Pt
• SMILES: [B](F)(F)(F)[F-].C(CNC(=O)Nc1cccc2c1c[n]([Pt]([n]1cc3c(cc1)cccc3NC(=O)NCCCCCCCC)([n]1cc3c(NC(=O)NCCCCCCCC)cccc3cc1)[n]1ccc3c(c1)c(NC(=O)NCCCCCCCC)ccc3)cc2)CCCCCC.[B](F)(F)(F)[F-]
• Title of publication: Platinum-based metal complexes as chloride transporters that trigger apoptosis.
• Authors of publication: Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11584 - 11593
• a: 11.013 ± 0.002 Å
• b: 13.708 ± 0.003 Å
• c: 14.075 ± 0.003 Å
• α: 114.46 ± 0.03°
• β: 99.2 ± 0.03°
• γ: 104.7 ± 0.03°
• Cell volume: 1784.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No