Information card for entry 4068437

Structure parameters

• Formula: C32 H28 Cl3 N3 O4 Pt
• Calculated formula: C32 H28 Cl3 N3 O4 Pt
• SMILES: [Pt]1(c2cccc3ccc4ccc[n]1c4c23)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Synthesis and Luminescence of Cyclometalated Compounds with Nitrile and Isocyanide Ligands†
• Authors of publication: Díez, Álvaro; Forniés, Juan; Fuertes, Sara; Lalinde, Elena; Larraz, Carmen; López, José A.; Martín, Antonio; Moreno, M. Teresa; Sicilia, Violeta
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1705
• a: 16.0067 ± 0.0002 Å
• b: 10.8311 ± 0.0002 Å
• c: 18.2324 ± 0.0003 Å
• α: 90°
• β: 106.363 ± 0.002°
• γ: 90°
• Cell volume: 3032.92 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0198
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No