Information card for entry 4350680

Structure parameters

• Formula: C30 H22 N2 O2 Pt
• Calculated formula: C30 H22 N2 O2 Pt
• SMILES: [Pt]12(=C3N(c4c(N3c3ccccc3)c3cccc5cccc4c35)c3c2cccc3)OC(=CC(=[O]1)C)C
• Title of publication: Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.
• Authors of publication: Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6346 - 6356
• a: 7.537 ± 0.0006 Å
• b: 9.714 ± 0.0011 Å
• c: 15.372 ± 0.004 Å
• α: 93.589 ± 0.013°
• β: 91.396 ± 0.011°
• γ: 98.144 ± 0.007°
• Cell volume: 1111.3 ± 0.3 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No