Information card for entry 7023926

Structure parameters

• Formula: C41 H37 Cl6 N5 Pt
• Calculated formula: C41 H37 Cl6 N5 Pt
• SMILES: [Pt]12([n]3ccc(cc3c3[n]1c(cc(c3)C(C)(C)C)c1c2cccc1)C(C)(C)C)C#Cc1ccc(cc1)N=Nc1ccc(cc1)C#N.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Cyclometalated platinum(ii) with ethynyl-linked azobenzene ligands: an original switching mode.
• Authors of publication: Savel, Paul; Latouche, Camille; Roisnel, Thierry; Akdas-Kilig, Huriye; Boucekkine, Abdou; Fillaut, Jean-Luc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16773 - 16783
• a: 11.8455 ± 0.0003 Å
• b: 23.7605 ± 0.0006 Å
• c: 15.3741 ± 0.0004 Å
• α: 90°
• β: 107.02 ± 0.001°
• γ: 90°
• Cell volume: 4137.6 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No