Information card for entry 4109196

Structure parameters

• Formula: C64 H56 N12 Pt4
• Calculated formula: C64 H56 N12 Pt4
• SMILES: [Pt]12(c3n(c4c(c3)ccc[n]4[Pt]3(c4n(c5c(c4)ccc[n]5[Pt]4(c5n(c6c(c5)ccc[n]6[Pt]5(c6n(c7c(c6)ccc[n]27)c2cccc[n]52)C)c2cccc[n]42)C)c2cccc[n]32)C)c2cccc[n]12)C.c1ccccc1.c1ccccc1
• Title of publication: Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square
• Authors of publication: Shu-Bin Zhao; Rui-Yao Wang; Suning Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3092 - 3093
• a: 9.862 ± 0.004 Å
• b: 13.404 ± 0.005 Å
• c: 24.203 ± 0.009 Å
• α: 76.366 ± 0.006°
• β: 86.246 ± 0.007°
• γ: 70.238 ± 0.007°
• Cell volume: 2926 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No