Information card for entry 4070527

Structure parameters

• Formula: C21 H24 Cl3 N3 Pt
• Calculated formula: C21 H24 Cl3 N3 Pt
• SMILES: [Pt]12(Cl)(Cl)(Cl)[N](Cc3c2c(cc(c3)/C=C/c2ccc(cc2)C#N)C[N]1(C)C)(C)C
• Title of publication: Substituted 4,4′-Stilbenoid NCN-Pincer Platinum(II) Complexes. Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED
• Authors of publication: Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; Donegá, Celso de Mello; Meijerink, Andries; Havenith, Remco W. A.; Pérez-Moreno, Javier; Clays, Koen; Büchel, Michael; Dijken, Addy van; Bryce, David L.; van Klink, Gerard P. M.; Koten, Gerard van
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1690
• a: 25.7528 ± 0.0004 Å
• b: 6.9451 ± 0.0001 Å
• c: 24.4159 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4366.92 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No