Information card for entry 4080661

Structure parameters

• Formula: C52 H72 I2 P4 Pt2
• Calculated formula: C52 H72 I2 P4 Pt2
• SMILES: [Pt](I)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1cc(C#Cc2ccc3c4c5c(cccc5ccc24)cc3)cc(c1)C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior
• Authors of publication: Wu, Nai-Wei; Zhang, Jing; Ciren, Deji; Han, Qing; Chen, Li-Jun; Xu, Lin; Yang, Hai-Bo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2536
• a: 21.1588 ± 0.0007 Å
• b: 29.4711 ± 0.001 Å
• c: 9.1006 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5674.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No