Information card for entry 7031522

Structure parameters

• Formula: C84 H92 Cl4 N6 Pt S2
• Calculated formula: C84 H91.294 Cl4 N6 Pt S2
• Title of publication: Photophysical properties of trans-platinum acetylide complexes featuring N-heterocyclic carbene ligands.
• Authors of publication: Winkel, Russell W.; Dubinina, Galyna G.; Abboud, Khalil A.; Schanze, Kirk S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 17712 - 17720
• a: 8.2552 ± 0.0007 Å
• b: 27.997 ± 0.002 Å
• c: 16.4264 ± 0.0014 Å
• α: 90°
• β: 92.455 ± 0.002°
• γ: 90°
• Cell volume: 3793 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No