Information card for entry 4083856

Structure parameters

• Formula: C34 H44 N2 O4 Pt
• Calculated formula: C34 H44 N2 O4 Pt
• SMILES: [Pt]12(c3cc(ccc3c3[n]2ccn3c2c(C(C)C)cccc2C(C)C)C(=O)OC)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)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: 29.57 ± 0.0013 Å
• b: 14.856 ± 0.004 Å
• c: 14.926 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6556.9 ± 1.9 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No