Information card for entry 4027109

Structure parameters

• Formula: C52 H80 Br2 O2 P4 Pt2
• Calculated formula: C52 H80 Br2 O2 P4 Pt2
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2c(OCc3ccccc3)c(OCc3ccccc3)c3c(c2c1)cc([Pt](Br)([P](CC)(CC)CC)[P](CC)(CC)CC)cc3
• Title of publication: Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly
• Authors of publication: Qing Han; Li-Lei Wang; Quan-Jie Li; Guang-Zhen Zhao; Jiuming He; Bingjie Hu; Hongwei Tan; Zeper Abliz; Yihua Yu; Hai-Bo Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3426 - 3432
• a: 16.4794 ± 0.0012 Å
• b: 45.447 ± 0.003 Å
• c: 16.3605 ± 0.0012 Å
• α: 90°
• β: 113.891 ± 0.002°
• γ: 90°
• Cell volume: 11203.2 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1345
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.2402
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No