Information card for entry 7060350

Structure parameters

• Formula: C18 H13 Cl N2 Pt
• Calculated formula: C18 H13 Cl N2 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)C#[N]c1ccccc1
• 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: 8.2027 ± 0.0004 Å
• b: 10.2109 ± 0.0005 Å
• c: 10.6109 ± 0.0005 Å
• α: 113.843 ± 0.005°
• β: 96.348 ± 0.004°
• γ: 106.099 ± 0.004°
• Cell volume: 755.53 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No