Information card for entry 4065103

Structure parameters

• Common name: 6
• Formula: C68 H90 Cl2 N2 O8 P4 Pt2
• Calculated formula: C68 H90 Cl2 N2 O8 P4 Pt2
• SMILES: C(C)[P](CC)(CC)[Pt]([P](CC)(CC)CC)(C#Cc1c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#C[Pt](C#[N]c1c(cccc1C)C)([P](CC)(CC)CC)[P](CC)(CC)CC)C#[N]c1c(cccc1C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination
• Authors of publication: Nguyen, Minh-Hai; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 6383
• a: 18.47 ± 0.003 Å
• b: 9.6544 ± 0.0013 Å
• c: 39.616 ± 0.006 Å
• α: 90°
• β: 99.54 ± 0.003°
• γ: 90°
• Cell volume: 6966.5 ± 1.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No