Information card for entry 7056128

Structure parameters

• Formula: C48 H24 F12 N4 Pt
• Calculated formula: C48 H24 F12 N4 Pt
• SMILES: c12=C(c3ccc4=C(c5ccc6n5[Pt]5(n2c(=C(c2ccc(=C6c6ccc(cc6)C(F)(F)F)[n]52)c2ccc(cc2)C(F)(F)F)cc1)[n]34)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies
• Authors of publication: Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 4908 - 4917
• a: 16.2871 ± 0.0007 Å
• b: 8.7492 ± 0.0003 Å
• c: 16.0372 ± 0.0005 Å
• α: 90°
• β: 113.761 ± 0.002°
• γ: 90°
• Cell volume: 2091.57 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No