Information card for entry 7103545

Structure parameters

• Formula: C38 H44 Br2 N8 O2 Pt
• Calculated formula: C38 H44 Br2 N8 O2 Pt
• SMILES: c1cccc[n]1[Pt]([n]1ccccc1)([n]1cc2c(NC(=O)NCCCC)cccc2cc1)[n]1ccc2cccc(NC(=O)NCCCC)c2c1.[Br-].[Br-]
• Title of publication: Metal-organic anion receptors: trans-functionalised platinum complexes.
• Authors of publication: Fisher, Matthew G; Gale, Philip A; Light, Mark E; Loeb, Stephen J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5695 - 5697
• a: 14.0597 ± 0.0005 Å
• b: 9.3584 ± 0.0002 Å
• c: 14.9751 ± 0.0004 Å
• α: 90°
• β: 95.33 ± 0.001°
• γ: 90°
• Cell volume: 1961.85 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No