Information card for entry 4081419

Structure parameters

• Formula: C54 H47 F12 Ir N8 O12 Pt2 S4 Se2
• Calculated formula: C54 H47 F12 Ir N8 O12 Pt2 S4 Se2
• SMILES: [Pt]12([Se][c]34[cH]5[Ir]6789%10%11%123([cH]5[c]6([Se][Pt]35[n]6ccccc6c6cccc([n]36)c3[n]5cccc3)[cH]7[cH]48)[c]3([c]9([c]%10([c]%11([c]%123C)C)C)C)C)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC
• Title of publication: Dinuclear Platinum(II) Terpyridyl Complexes with apara-Diselenobenzoquinone Organometallic Linker: Synthesis, Structures, and Room-Temperature Phosphorescence
• Authors of publication: Moussa, Jamal; Wong, Keith Man-Chung; Le Goff, Xavier F.; Rager, Marie Noelle; Chan, Carmen Ka-Man; Yam, Vivian Wing-Wah; Amouri, Hani
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4985
• a: 12.69 ± 0.001 Å
• b: 16.024 ± 0.001 Å
• c: 17.34 ± 0.001 Å
• α: 69.701 ± 0.001°
• β: 88.746 ± 0.001°
• γ: 75.607 ± 0.001°
• Cell volume: 3195.2 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0961
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No