Information card for entry 7043886

Structure parameters

• Formula: C68 H93 F6 N2 O14 P Pt2 S2 Tl
• Calculated formula: C60 H82 F6 N2 P Pt2 S2 Tl
• SMILES: c12cc3ccc(ccc3c1C=[N](c1c(cccc1C(C)C)C(C)C)[Pt]2(C)([Tl][Pt]1(c2cc3ccc(ccc3c2C=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)(C)[S](C)C)[S](C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.6161 ± 0.0014 Å
• b: 15.167 ± 0.002 Å
• c: 23.455 ± 0.003 Å
• α: 104.699 ± 0.008°
• β: 100.17 ± 0.007°
• γ: 92.911 ± 0.007°
• Cell volume: 3577.4 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No