Information card for entry 7043885

Structure parameters

• Formula: C30 H41 N Pt S
• Calculated formula: C30 H41 N Pt S
• SMILES: [Pt]1([N](c2c(cccc2C(C)C)C(C)C)=Cc2c1cc1c2ccc(cc1)C(C)(C)C)([S](C)C)C
• Title of publication: Stimuli-Responsive Emissive Behavior of 1- and 1, 3-Connectivities in Azulene-Based Imine Ligands: Cycloplatination and and Pt-Tl Dative Bond Formation
• Authors of publication: Jamali, Sirous; Bagherzadeh, Mojtaba; Kia, Reza; Samouei, Hamidreza; Mousavi, Narges-Alsadat
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.6096 ± 0.0003 Å
• b: 21.5267 ± 0.0008 Å
• c: 14.9694 ± 0.0006 Å
• α: 90°
• β: 97.989 ± 0.001°
• γ: 90°
• Cell volume: 2747.45 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No