Information card for entry 4342206

Structure parameters

• Formula: C21 H15 Cl F6 N7 P Pt
• Calculated formula: C21 H15 Cl F6 N7 P Pt
• SMILES: [Pt]12([n]3nn(cc3c3[n]2c(c2[n]1nn(c2)c1ccccc1)ccc3)c1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.
• Authors of publication: Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1588 - 1596
• a: 6.8613 ± 0.0002 Å
• b: 17.8733 ± 0.0004 Å
• c: 20.9936 ± 0.0004 Å
• α: 72.697 ± 0.001°
• β: 87.112 ± 0.001°
• γ: 83.748 ± 0.001°
• Cell volume: 2442.96 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No