Information card for entry 4083854

Structure parameters

• Formula: C39 H40 N2 O2 Pt
• Calculated formula: C39 H40 N2 O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]2ccn3c2c(cc(cc2C)C)C)OC(=CC(=[O]1)c1c(C)cc(cc1C)C)c1c(cc(C)cc1C)C
• Title of publication: C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands
• Authors of publication: Micksch, Maik; Tenne, Mario; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140701164044003
• a: 8.184 ± 0.0005 Å
• b: 12.446 ± 0.003 Å
• c: 33.932 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3456.2 ± 1.1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No