Information card for entry 4064781

Structure parameters

• Formula: C60 H84 Br2 Fe2 O4 P4 Pt2
• Calculated formula: C60 H84 Br2 Fe2 O4 P4 Pt2
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2c(OC(=O)[c]34[Fe]56789%10%11([cH]%12[cH]5[cH]6[cH]7[cH]8%12)[cH]([cH]39)[cH]%11[cH]4%10)c(OC(=O)[c]34[Fe]56789%10%11([cH]%12[cH]5[cH]6[cH]7[cH]8%12)[cH]3[cH]9[cH]%10[cH]4%11)c3c(c2c1)cc([Pt](Br)([P](CC)(CC)CC)[P](CC)(CC)CC)cc3
• Title of publication: Facile Self-Assembly of Supramolecular Hexakisferrocenyl Triangles via Coordination-Driven Self-Assembly and Their Electrochemical Behavior
• Authors of publication: Zhao, Guang-Zhen; Li, Quan-Jie; Chen, Li-Jun; Tan, Hongwei; Wang, Cui-Hong; Lehman, Danielle A.; Muddiman, David C.; Yang, Hai-Bo
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3637
• a: 15.7797 ± 0.0006 Å
• b: 29.1931 ± 0.001 Å
• c: 15.587 ± 0.0006 Å
• α: 90°
• β: 118.778 ± 0.001°
• γ: 90°
• Cell volume: 6293.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No