Information card for entry 4065098

Structure parameters

• Common name: 1b
• Formula: C74 H120 I2 P4 Pt2
• Calculated formula: C74 H120 I2 P4 Pt2
• SMILES: C(#Cc1c2cc3ccccc3cc2c(C#C[Pt](I)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC)c2cc3ccccc3cc12)[Pt]([P](CCCC)(CCCC)CCCC)(I)[P](CCCC)(CCCC)CCCC
• 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: 8.9087 ± 0.0012 Å
• b: 15.686 ± 0.002 Å
• c: 27.615 ± 0.004 Å
• α: 90°
• β: 97.571 ± 0.004°
• γ: 90°
• Cell volume: 3825.3 ± 0.9 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: 0.0357
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No