Information card for entry 4064403

Structure parameters

• Formula: C13 H22 Br2 N4 O3 Pt S
• Calculated formula: C13 H22 Br2 N4 O3 Pt S
• SMILES: [Pt]1(Br)(Br)=C2N(CCO)C=CN2CN2C=1N(C=C2)CCO.S(C)(=O)C
• Title of publication: Platinum(II) Complexes with Tetradentate Dianionic (O∧C*∧C*∧O)-Ligands
• Authors of publication: Meyer, Anke; Unger, Yvonne; Poethig, Alexander; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2980
• a: 8.602 ± 0.001 Å
• b: 8.869 ± 0.0005 Å
• c: 13.308 ± 0.0009 Å
• α: 105.28 ± 0.005°
• β: 94.791 ± 0.006°
• γ: 93.548 ± 0.008°
• Cell volume: 972.25 ± 0.14 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No