Information card for entry 7042468

Structure parameters

• Formula: C64 H92 N6 O2 Pt S2
• Calculated formula: C64 H92 N6 O2 Pt S2
• Title of publication: Phosphorescent platinum(ii) alkynyls end-capped with benzothiazole units.
• Authors of publication: Lara, Rebeca; Lalinde, Elena; Moreno, M. Teresa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4628 - 4641
• a: 9.4932 ± 0.0002 Å
• b: 17.5531 ± 0.0004 Å
• c: 19.1626 ± 0.0004 Å
• α: 82.26 ± 0.001°
• β: 80.974 ± 0.001°
• γ: 86.431 ± 0.001°
• Cell volume: 3122.13 ± 0.12 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No