Information card for entry 4518131

Structure parameters

• Formula: C42 H32 N2 Pt S2
• Calculated formula: C42 H32 N2 Pt S2
• SMILES: [Pt]12(c3sc4c(c3C=[N]1[C@H](C)c1cccc3ccccc13)cccc4)[N](=Cc1c2sc2c1cccc2)[C@H](C)c1cccc2ccccc12
• Title of publication: Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties.
• Authors of publication: Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M.
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 41
• Pages of publication: 26855 - 26863
• a: 9.9179 ± 0.0003 Å
• b: 11.9722 ± 0.0003 Å
• c: 13.8685 ± 0.0004 Å
• α: 93.109 ± 0.001°
• β: 92.712 ± 0.001°
• γ: 91.78 ± 0.001°
• Cell volume: 1641.53 ± 0.08 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No