Information card for entry 7060354

Structure parameters

• Formula: C32 H17 Br2 Cl F4 N2 Pt
• Calculated formula: C32 H17 Br2 Cl F4 N2 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)C#[N]c1ccc(C#Cc2ccccc2)cc1.Brc1c(Br)c(F)c(F)c(F)c1F
• Title of publication: Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes
• Authors of publication: Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2948 - 2952
• a: 23.4886 ± 0.0003 Å
• b: 7.161 ± 0.0001 Å
• c: 34.3172 ± 0.0004 Å
• α: 90°
• β: 90.551 ± 0.001°
• γ: 90°
• Cell volume: 5771.95 ± 0.13 ų
• Cell temperature: 122 ± 0.9 K
• Ambient diffraction temperature: 122 ± 0.9 K
• Number of distinct elements: 7
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No