Information card for entry 4328622

Structure parameters

• Formula: C42.5 H29 Cl7 N4 Pt2 S4
• Calculated formula: C42.5 H29 Cl7 N4 Pt2 S4
• SMILES: [Pt]123([Pt]4(Cl)(Sc5sc6ccccc6[n]25)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)sc1ccccc21)(Cl)[n]1cccc2ccc4cccc3c4c12.ClCCl.ClCCl.ClCCl
• Title of publication: Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.
• Authors of publication: Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3427 - 3435
• a: 13.3386 ± 0.0002 Å
• b: 17.2028 ± 0.0003 Å
• c: 19.0478 ± 0.0003 Å
• α: 91.242 ± 0.001°
• β: 95.097 ± 0.001°
• γ: 98.189 ± 0.001°
• Cell volume: 4306.45 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No