Information card for entry 7060352

Structure parameters

• Formula: C24 H13 Br2 Cl F4 N2 Pt
• Calculated formula: C24 H13 Br2 Cl F4 N2 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)C#[N]c1ccccc1.Brc1c(F)c(F)c(F)c(F)c1Br
• 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: 6.8603 ± 0.0002 Å
• b: 15.4638 ± 0.0005 Å
• c: 21.8179 ± 0.0006 Å
• α: 90°
• β: 90.911 ± 0.002°
• γ: 90°
• Cell volume: 2314.29 ± 0.12 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0381
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No