Information card for entry 1512583

Structure parameters

• Formula: C100 H96 N8 O8 Pt
• Calculated formula: C100 H96 N8 O8 Pt
• Title of publication: Convenient Synthesis of a Highly Soluble and Stable Phosphorescent Platinum Porphyrin Dye
• Authors of publication: Zems, Yaroslav; Moiseev, Andrey G.; Perepichka, Dmitrii F.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 5330
• a: 21.2352 ± 0.0008 Å
• b: 21.2352 ± 0.0008 Å
• c: 23.791 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10728.2 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No