Information card for entry 4086613

Structure parameters

• Formula: C62 H20 B2 Cl4 F30 N4 Pt
• Calculated formula: C62 H20 B2 Cl4 F30 N4 Pt
• SMILES: [Pt]1([n]2ccccc2c2[n]1cccc2)(C#Cc1cc[n]([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1)C#Cc1cc[n]([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1.ClCCl.ClCCl
• Title of publication: Postsynthetic Systematic Electronic Tuning of Organoplatinum Photosensitizers via Secondary Coordination Sphere Interactions
• Authors of publication: Na, Hanah; Maity, Ayan; Teets, Thomas S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 13
• Pages of publication: 2267
• a: 13.706 ± 0.003 Å
• b: 13.825 ± 0.003 Å
• c: 16.679 ± 0.004 Å
• α: 99.959 ± 0.003°
• β: 97.774 ± 0.003°
• γ: 94.869 ± 0.003°
• Cell volume: 3065.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No