Information card for entry 1569293

Structure parameters

• Formula: C234 H232 B4 F16 N25 O17 Pt2
• Calculated formula: C204 H192 N20 O12 Pt2
• SMILES: [n]12[Pt]34[n]5cccc(c5)C#Cc5cc(cc(c5)C#Cc5ccc[n](c5)[Pt]([n]5cccc(c5)C#Cc5cc(cc(c5)C#Cc5ccc[n]3c5)OCCN(C)C(=O)c3ccccc3c3c5ccc(cc5[o+]c5cc(ccc35)N(CC)CC)N(CC)CC)([n]3cccc(C#Cc5cc(cc(C#Cc(ccc1)c2)c5)OCCN(C)C(=O)c1ccccc1c1c2c([o+]c5c1ccc(c5)N(CC)CC)cc(cc2)N(CC)CC)c3)[n]1cccc(c1)C#Cc1cc(cc(c1)C#Cc1ccc[n]4c1)OCCN(C)C(=O)c1c(cccc1)c1c2ccc(cc2[o+]c2cc(ccc12)N(CC)CC)N(CC)CC)OCCN(C)C(=O)c1c(cccc1)c1c2c([o+]c3c1ccc(c3)N(CC)CC)cc(cc2)N(CC)CC
• Title of publication: In vivo biodistribution of kinetically stable Pt2L4 nanospheres that show anti-cancer activity
• Authors of publication: Bobylev, Eduard O.; Knol, Renzo A.; Mathew, Simon; Poole, David A.; Kotsogianni, Ioli; Martin, Nathaniel I.; de Bruin, Bas; Kros, Alexander; Reek, Joost N. H.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 25
• Pages of publication: 6943 - 6952
• a: 17.6863 ± 0.0014 Å
• b: 18.9328 ± 0.0015 Å
• c: 20.2709 ± 0.0017 Å
• α: 114.66 ± 0.004°
• β: 97.896 ± 0.004°
• γ: 108.962 ± 0.003°
• Cell volume: 5531.9 ± 0.8 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: 0.2012
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.2622
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No