Information card for entry 4328621

Structure parameters

• Formula: C43 H30 N4 O Pt2 S4
• Calculated formula: C43 H30 N4 O Pt2 S4
• SMILES: [Pt]123([Pt]4(Sc5sc6ccccc6[n]25)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)sc1c2cccc1)[n]1cccc2ccc4cccc3c4c12.O=C(C)C
• 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: 11.1819 ± 0.0003 Å
• b: 11.7099 ± 0.0003 Å
• c: 15.5443 ± 0.0004 Å
• α: 84.613 ± 0.002°
• β: 73.393 ± 0.002°
• γ: 71.687 ± 0.002°
• Cell volume: 1851.65 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0277
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No