Information card for entry 4080162

Structure parameters

• Common name: 4
• Formula: C58 H80 P4 Pt2 S2
• Calculated formula: C58 H80 P4 Pt2 S2
• 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: 9.2161 ± 0.0011 Å
• b: 25.684 ± 0.003 Å
• c: 12.9507 ± 0.0015 Å
• α: 90°
• β: 109.035 ± 0.003°
• γ: 90°
• Cell volume: 2897.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1454
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No