Information card for entry 4089631

Structure parameters

• Formula: C16 H18 Br Cl2 N3 O Pt
• Calculated formula: C16 H18 Br Cl2 N3 O Pt
• SMILES: [Pt]12(=C3N(C=CN3C)c3c2cc(Br)cc3)OC(=CC(=[NH]1)C)C.ClCCl
• 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: 12.404 ± 0.003 Å
• b: 13.057 ± 0.003 Å
• c: 12.406 ± 0.002 Å
• α: 90°
• β: 111.18 ± 0.03°
• γ: 90°
• Cell volume: 1873.5 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No