Information card for entry 4089636

Structure parameters

• Formula: C21 H21 N3 O2 Pt
• Calculated formula: C21 H21 N3 O2 Pt
• SMILES: [Pt]12(=C3N(C=Cn3C)c3c2cc(OC)cc3)OC(=CC(=[NH]1)C)c1ccccc1
• Title of publication: C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands
• Authors of publication: Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 898
• a: 22.93 ± 0.0014 Å
• b: 8.727 ± 0.002 Å
• c: 19.189 ± 0.004 Å
• α: 90°
• β: 102.453 ± 0.011°
• γ: 90°
• Cell volume: 3749.6 ± 1.2 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 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: 0.0443
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No