Information card for entry 7056127

Structure parameters

• Formula: C44 H20 F8 N4 Pt
• Calculated formula: C44 H20 F8 N4 Pt
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Pt]([n]78)([n]34)n56)c1cc(cc(F)c1)F)c1cc(cc(F)c1)F)c1cc(cc(F)c1)F)c1cc(cc(F)c1)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: 15.396 ± 0.007 Å
• b: 15.396 ± 0.007 Å
• c: 14.482 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3433 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0415
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No