Information card for entry 4080164

Structure parameters

• Common name: 6
• Formula: C62 H80 P4 Pt2
• Calculated formula: C62 H80 P4 Pt2
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(C#Cc1ccccc1)C#Cc1c2ccccc2c(c2cc3ccccc3cc12)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1ccccc1
• Title of publication: Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study
• Authors of publication: Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1620
• a: 9.5196 ± 0.0004 Å
• b: 17.2407 ± 0.0008 Å
• c: 18.7566 ± 0.0008 Å
• α: 71.52 ± 0.001°
• β: 80.678 ± 0.001°
• γ: 81.328 ± 0.001°
• Cell volume: 2864.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No